Chemical ID: 5088501

c1ccc(cc1)c2c[nH]c(n2)SCC(=O)Nc3cccc(c3)[N+](=O)[O-]
Chemical ID:
5088501
Name [?]:
N-(3-nitrophenyl)-2-[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILES [?]:
c1ccc(cc1)c2c[nH]c(n2)SCC(=O)Nc3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H14N4O3S/c22-16(19-13-7-4-8-14(9-13)21(23)24)11-25-17-18-10-15(20-17)12-5-2-1-3-6-12/h1-10H,11H2,(H,18,20)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,18,20,22,8,13,4,17,21,7,14,10,9,16,11,23,15,24,25,12/E:(2,3)(5,6)(23,24)/CRV:21.5/rA:25nCCCCCCCCNCNSCCONCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.78443
Area:575.021
Solvation:-8.59109
Coulombic:-49.6023
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.384
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.22
LogP (Chemaxon):4.11

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Descriptor Annotations

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