Chemical ID: 6263517

c1ccc(cc1)CCC(=O)Nc2nc(cs2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
6263517
Name [?]:
N-[4-(4-nitrophenyl)thiazol-2-yl]-3-phenyl-propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)Nc2nc(cs2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H15N3O3S/c22-17(11-6-13-4-2-1-3-5-13)20-18-19-16(12-25-18)14-7-9-15(10-8-14)21(23)24/h1-5,7-10,12H,6,11H2,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,18,22,19,21,8,15,4,17,20,14,9,12,13,11,23,10,24,25,16/E:(2,3)(4,5)(7,8)(9,10)(23,24)/CRV:21.5/rA:25nCCCCCCCCCONCNCCSCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.18937
Area:577.172
Solvation:-8.23993
Coulombic:-38.9265
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.396
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.58
LogP (Chemaxon):4.91

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Descriptor Annotations

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