Chemical ID: 6261277

CCC(=O)Nc1nc2ccc3c(c2s1)nc(s3)C
Chemical ID:
6261277
Name [?]:
None
SMILES [?]:
CCC(=O)Nc1nc2ccc3c(c2s1)nc(s3)C
InChi [?]:
InChI=1/C12H11N3OS2/c1-3-9(16)15-12-14-7-4-5-8-10(11(7)18-12)13-6(2)17-8/h4-5H,3H2,1-2H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,2,9,10,16,8,11,3,12,13,6,15,7,5,4,17,14/rA:18nCCCONCNCCCCCCSNCSC/rB:s1;s2;d3;s3;s5;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s12;d15;s11s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N3OS2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.58794
Area:452.217
Solvation:-2.71749
Coulombic:-30.1652
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.367
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.21
LogP (Chemaxon):3.44

Name Annotations

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Descriptor Annotations

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