Chemical ID: 6731441

CCN1c2cc(ccc2SCC1=O)C(=O)NCc3ccccc3
Chemical ID:
6731441
Name [?]:
N-benzyl-10-ethyl-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamide
SMILES [?]:
CCN1c2cc(ccc2SCC1=O)C(=O)NCc3ccccc3
InChi [?]:
InChI=1/C18H18N2O2S/c1-2-20-15-10-14(8-9-16(15)23-12-17(20)21)18(22)19-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,19,23,7,8,5,17,11,18,6,4,9,12,14,16,3,13,15,10/E:(4,5)(6,7)/rA:23nCCNCCCCCCSCCOCONCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s3s11;d12;s6;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O2S
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4211
Area:528.254
Solvation:-2.78523
Coulombic:-39.7873
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:326.414
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.9
LogP (Chemaxon):2.2

Name Annotations

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Descriptor Annotations

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