Chemical ID: 6355012

Cc1c(sc(n1)NC(=O)Cc2ccc(cc2)[N+](=O)[O-])C
Chemical ID:
6355012
Name [?]:
N-(4,5-dimethylthiazol-2-yl)-2-(4-nitrophenyl)-acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)Cc2ccc(cc2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C13H13N3O3S/c1-8-9(2)20-13(14-8)15-12(17)7-10-3-5-11(6-4-10)16(18)19/h3-6H,7H2,1-2H3,(H,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,20,12,16,13,15,10,2,3,11,14,8,5,6,7,17,9,18,19,4/E:(3,4)(5,6)(18,19)/CRV:16.5/rA:20nCCCSCNNCOCCCCCCCN+OO-C/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N3O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.86787
Area:489.557
Solvation:-8.37105
Coulombic:-36.2486
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.327
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.55
LogP (Chemaxon):2.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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