Chemical ID: 6532663

Cc1cc(cc(c1)C(=O)N=c2[nH]c(cs2)c3ccc(cc3)[N+](=O)[O-])C
Chemical ID:
6532663
Name [?]:
3,5-dimethyl-N-[4-(4-nitrophenyl)-3H-thiazol-2-ylidene]-benzamide
SMILES [?]:
Cc1cc(cc(c1)C(=O)N=c2[nH]c(cs2)c3ccc(cc3)[N+](=O)[O-])C
InChi [?]:
InChI=1/C18H15N3O3S/c1-11-7-12(2)9-14(8-11)17(22)20-18-19-16(10-25-18)13-3-5-15(6-4-13)21(23)24/h3-10H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,17,21,18,20,3,7,5,14,2,4,16,6,19,13,8,11,12,10,22,9,23,24,15/E:(1,2)(3,4)(5,6)(8,9)(11,12)(23,24)/CRV:21.5/rA:25nCCCCCCCCONCNCCSCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;w10;s11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s19;d22;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.26219
Area:567.223
Solvation:-6.91838
Coulombic:-42.0933
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:353.396
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.11
LogP (Chemaxon):4.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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