Chemical ID: 6158848

CC(=O)Nc1ccc(cc1)C(=O)Nc2nc3c(s2)CCC3
Chemical ID:
6158848
Name [?]:
4-acetamido-N-(6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl)benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)Nc2nc3c(s2)CCC3
InChi [?]:
InChI=1/C15H15N3O2S/c1-9(19)16-11-7-5-10(6-8-11)14(20)18-15-17-12-3-2-4-13(12)21-15/h5-8H,2-4H2,1H3,(H,16,19)(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,7,9,6,10,2,8,5,16,17,11,14,4,15,13,3,12,18/E:(5,6)(7,8)/rA:21nCCONCCCCCCCONCNCCSCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.69791
Area:502.261
Solvation:-3.85862
Coulombic:-44.7235
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.365
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.03
LogP (Chemaxon):2.05

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Descriptor Annotations

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