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N-(6-carbamoyloxan-3-yl)-6''-chloro-4'-(2-chloro-3-fluoropyridin-4-yl)-4,4-dimethyl-2''-oxo-1''H-dispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indole]-5'-carboxamide

N-(6-carbamoyloxan-3-yl)-6''-chloro-4'-(2-chloro-3-fluoropyridin-4-yl)-4,4-dimethyl-2''-oxo-1''H-dispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indole]-5'-carboxamide

CAS: 1398568-47-2

Formula: C30H34Cl2FN5O4

SMILES: CC1(C)CCC2(CC1)NC(C(C1=C(F)C(Cl)=NC=C1)C21C(=O)NC2=C1C=CC(Cl)=C2)C(=O)NC1CCC(OC1)C(N)=O

IUPAC: N-(6-carbamoyloxan-3-yl)-6''-chloro-4'-(2-chloro-3-fluoropyridin-4-yl)-4,4-dimethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indole]-5'-carboxamide

InChI: InChI=1/C30H34Cl2FN5O4/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41)

Composition: C (58.26%), H (5.54%), Cl (11.46%), F (3.07%), N (11.32%), O (10.35%)

Molar Mass: 618.53

Atom Count: 76

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 5
Exact Mass 617.1971882
Formal Charge 0
FSP3 0.53
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey RYAYYVTWKAOAJF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 156.82
Topological Polar Surface Area 135.44
Polarizability 60.56
Ring Count 6
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1398568-47-2 $412.01-$684.14$412.01$684.14
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