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2-[(7S)-9-(4-chlorophenyl)-3-methyl-5-oxa-4,8-diazatricyclo[8.4.0.0²,?]tetradeca-1(14),2(6),3,8,10,12-hexaen-7-yl]acetamide

2-[(7S)-9-(4-chlorophenyl)-3-methyl-5-oxa-4,8-diazatricyclo[8.4.0.0²,?]tetradeca-1(14),2(6),3,8,10,12-hexaen-7-yl]acetamide

CAS: 1380087-89-7

Formula: C20H16ClN3O2

SMILES: CC1=NOC2=C1C1=CC=CC=C1C(=N[C@H]2CC(N)=O)C1=CC=C(Cl)C=C1

IUPAC: 2-[(7S)-9-(4-chlorophenyl)-3-methyl-5-oxa-4,8-diazatricyclo[8.4.0.0²,?]tetradeca-1(14),2(6),3,8,10,12-hexaen-7-yl]acetamide

InChI: InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1

Composition: C (65.67%), H (4.41%), Cl (9.69%), N (11.49%), O (8.75%)

Molar Mass: 365.82

Atom Count: 42

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 365.0931045
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GCWIQUVXWZWCLE-INIZCTEOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.27
Topological Polar Surface Area 81.48
Polarizability 39.03
Ring Count 4
Rotatable Bond Count 3

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