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Chemical ID: 6532663
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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