Chemical ID: 6393042

Cc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3cccc(c3)[N+](=O)[O-]
Chemical ID:
6393042
Name [?]:
3-(3-nitrophenyl)-N-[4-(p-tolyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H15N3O3S/c1-13-5-8-15(9-6-13)17-12-26-19(20-17)21-18(23)10-7-14-3-2-4-16(11-14)22(24)25/h2-12H,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,3,7,17,4,6,16,23,9,2,18,5,22,8,14,11,12,13,24,15,25,26,10/E:(5,6)(8,9)(24,25)/CRV:22.5/rA:26nCCCCCCCCCSCNNCOCCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.78078
Area:575.88
Solvation:-7.61622
Coulombic:-40.7937
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:365.407
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.31
LogP (Chemaxon):5.46

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