Chemical ID: 5099756

Cc1ccc(cc1)N(Cc2ccc(cc2)[N+](=O)[O-])C(=O)c3cccs3
Chemical ID:
5099756
Name [?]:
N-[(4-nitrophenyl)methyl]-N-(p-tolyl)thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)N(Cc2ccc(cc2)[N+](=O)[O-])C(=O)c3cccs3
InChi [?]:
InChI=1/C19H16N2O3S/c1-14-4-8-16(9-5-14)20(19(22)18-3-2-12-25-18)13-15-6-10-17(11-7-15)21(23)24/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,3,7,11,15,4,6,12,14,24,9,2,10,5,13,21,19,8,16,20,17,18,25/E:(4,5)(6,7)(8,9)(10,11)(23,24)/CRV:21.5/rA:25nCCCCCCCNCCCCCCCN+OO-COCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s8;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.22684
Area:530.312
Solvation:-7.03095
Coulombic:-32.3743
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.408
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.08
LogP (Chemaxon):4.49

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Descriptor Annotations

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