Chemical ID: 4301584

Cc1ccc(cc1)Cc2cnc(s2)NC(=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4301584
Name [?]:
3-nitro-N-[5-(p-tolylmethyl)thiazol-2-yl]-benzamide
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)NC(=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H15N3O3S/c1-12-5-7-13(8-6-12)9-16-11-19-18(25-16)20-17(22)14-3-2-4-15(10-14)21(23)24/h2-8,10-11H,9H2,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,3,7,4,6,8,22,10,2,5,17,21,9,15,12,11,14,23,16,24,25,13/E:(5,6)(7,8)(23,24)/CRV:21.5/rA:25nCCCCCCCCCCNCSNCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.48308
Area:574.358
Solvation:-8.87587
Coulombic:-38.1034
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.396
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.15
LogP (Chemaxon):4.47

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Descriptor Annotations

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