Chemical ID: 6156937

c1ccc(cc1)C=C(c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-]
Chemical ID:
6156937
Name [?]:
N-(5-nitrothiazol-2-yl)-2,3-diphenyl-prop-2-enamide
SMILES [?]:
c1ccc(cc1)C=C(c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H13N3O3S/c22-17(20-18-19-12-16(25-18)21(23)24)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-12H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,12,2,6,11,13,3,5,10,14,7,20,4,9,8,21,15,18,19,17,23,16,24,25,22/E:(3,4)(5,6)(7,8)(9,10)(23,24)/CRV:21.5/rA:25nCCCCCCCCCCCCCCCONCNCCSN+OO-/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s8;d15;s15;s17;d18;s19;d20;s18s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.74039
Area:551.298
Solvation:-8.04207
Coulombic:-41.9203
Bond Count [?]
All:27
Single:16
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:351.38
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.46
LogP (Chemaxon):4.33

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