Chemical ID: 5647647

Cc1ccc(c(c1)O)NC(=O)c2ccc3c(c2)NC(=O)CS3
Chemical ID:
5647647
Name [?]:
N-(2-hydroxy-4-methyl-phenyl)-4-oxo-2-thia-5-azabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide
SMILES [?]:
Cc1ccc(c(c1)O)NC(=O)c2ccc3c(c2)NC(=O)CS3
InChi [?]:
InChI=1/C16H14N2O3S/c1-9-2-4-11(13(19)6-9)18-16(21)10-3-5-14-12(7-10)17-15(20)8-22-14/h2-7,19H,8H2,1H3,(H,17,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,13,4,14,7,17,21,2,12,5,16,6,15,19,10,18,9,8,20,11,22/rA:22nCCCCCCCONCOCCCCCCNCOCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s15s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.13217
Area:500.481
Solvation:-3.37984
Coulombic:-58.5992
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:314.36
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.65
LogP (Chemaxon):2.65

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