Chemical ID: 6898269

Cc1c(sc2c1c(=O)n(cn2)C(C)C(=O)Nc3ccc(cc3)Cl)C
Chemical ID:
6898269
Name [?]:
N-(4-chlorophenyl)-2-(7,8-dimethyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-propanamide
SMILES [?]:
Cc1c(sc2c1c(=O)n(cn2)C(C)C(=O)Nc3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C17H16ClN3O2S/c1-9-11(3)24-16-14(9)17(23)21(8-19-16)10(2)15(22)20-13-6-4-12(18)5-7-13/h4-8,10H,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,13,24,19,21,18,22,10,2,12,3,20,17,6,14,5,7,23,11,16,9,15,8,4/E:(4,5)(6,7)/rA:24cCCCSCCCONCNCCCONCCCCCCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5d10;s9;s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClN3O2S
All Atoms:40
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.991
Area:550.542
Solvation:-2.77252
Coulombic:-43.5421
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:361.847
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.07
LogP (Chemaxon):3.56

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