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N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-10-phenyl-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3,5,7-triene-5-carboxamide

N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-10-phenyl-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3,5,7-triene-5-carboxamide

Formula: C30H31ClN2OS

SMILES: ClC1=CC=C(CSCCNC(=O)C2=CC=C3NC(C4C5CCC(C5)C4C3=C2)C2=CC=CC=C2)C=C1

IUPAC: N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-10-phenyl-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3,5,7-triene-5-carboxamide

InChI: InChI=1/C30H31ClN2OS/c31-24-11-6-19(7-12-24)18-35-15-14-32-30(34)23-10-13-26-25(17-23)27-21-8-9-22(16-21)28(27)29(33-26)20-4-2-1-3-5-20/h1-7,10-13,17,21-22,27-29,33H,8-9,14-16,18H2,(H,32,34)

Composition: C (71.62%), H (6.21%), Cl (7.05%), N (5.57%), O (3.18%), S (6.37%)

Molar Mass: 503.1

Atom Count: 66

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 5
Exact Mass 502.1845625
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey AOZHJMZHFAHYEF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 148.13
Topological Polar Surface Area 41.13
Polarizability 56.41
Ring Count 6
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C30H31ClN2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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