Chemical ID: 6138466

Cc1cccc(c1[N+](=O)[O-])C(=O)Nc2nc(cs2)c3ccccc3
Chemical ID:
6138466
Name [?]:
3-methyl-2-nitro-N-(4-phenylthiazol-2-yl)-benzamide
SMILES [?]:
Cc1cccc(c1[N+](=O)[O-])C(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C17H13N3O3S/c1-11-6-5-9-13(15(11)20(22)23)16(21)19-17-18-14(10-24-17)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,4,3,20,24,5,17,2,19,6,16,7,11,14,15,13,8,12,9,10,18/E:(3,4)(7,8)(22,23)/CRV:20.5/rA:24nCCCCCCCN+OO-CONCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:4.28338
Area:528.619
Solvation:-8.93209
Coulombic:-38.5637
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:339.37
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.82
LogP (Chemaxon):4.87

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Descriptor Annotations

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