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7-(3-chlorophenyl)-10-phenyl-4-thia-6,10-diazatricyclo[6.3.0.0²,?]undecane-9,11-dione

7-(3-chlorophenyl)-10-phenyl-4-thia-6,10-diazatricyclo[6.3.0.0²,?]undecane-9,11-dione

CAS: 321521-97-5

Formula: C20H17ClN2O2S

SMILES: ClC1=CC(=CC=C1)C1C2C(C3CSCN13)C(=O)N(C2=O)C1=CC=CC=C1

IUPAC: 7-(3-chlorophenyl)-10-phenyl-4-thia-6,10-diazatricyclo[6.3.0.0²,?]undecane-9,11-dione

InChI: InChI=1/C20H17ClN2O2S/c21-13-6-4-5-12(9-13)18-17-16(15-10-26-11-22(15)18)19(24)23(20(17)25)14-7-2-1-3-8-14/h1-9,15-18H,10-11H2

Composition: C (62.41%), H (4.45%), Cl (9.21%), N (7.28%), O (8.31%), S (8.33%)

Molar Mass: 384.88

Atom Count: 43

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 4
Exact Mass 384.0699267
Formal Charge 0
FSP3 0.3
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KRCZASBHGOCUQV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.18
Topological Polar Surface Area 40.62
Polarizability 40.19
Ring Count 5
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 321521-97-5 $51.35-$86.31$51.35$63.37$86.31
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