Chemical ID: 5168654

Cc1c(sc2c1c(=O)n(cn2)C(C)C(=O)OCc3ccccc3Cl)C
Chemical ID:
5168654
Name [?]:
(2-chlorophenyl)methyl 2-(7,8-dimethyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)propanoate
SMILES [?]:
Cc1c(sc2c1c(=O)n(cn2)C(C)C(=O)OCc3ccccc3Cl)C
InChi [?]:
InChI=1/C18H17ClN2O3S/c1-10-12(3)25-16-15(10)17(22)21(9-20-16)11(2)18(23)24-8-13-6-4-5-7-14(13)19/h4-7,9,11H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,25,20,21,19,22,17,10,2,12,3,18,23,6,5,7,14,24,11,9,8,15,16,4/rA:25cCCCSCCCONCNCCCOOCCCCCCCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5d10;s9;s12;s12;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17ClN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.9143
Area:573.477
Solvation:-2.42259
Coulombic:-43.5413
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:376.858
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.75
LogP (Chemaxon):3.83

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