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Chemical ID: 7328900
Chemical ID:
7328900
Name [?]:
N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-methyl-2-nitro-benzamide
SMILES [?]:
Cc1cccc(c1[N+](=O)[O-])C(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C
InChi [?]:
InChI=1/C19H16N4O4S/c1-11-4-3-5-15(17(11)23(26)27)18(25)22-19-21-16(10-28-19)13-6-8-14(9-7-13)20-12(2)24/h3-10H,1-2H3,(H,20,24)(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,28,4,3,5,20,24,21,23,17,2,26,19,22,6,16,7,11,14,25,15,13,8,27,12,9,10,18/E:(6,7)(8,9)(26,27)/CRV:23.5/rA:28nCCCCCCCN+OO-CONCNCCSCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N4O4S |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.85146 |
Area: | 604.662 |
Solvation: | -10.2651 |
Coulombic: | -56.0496 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 396.421 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.08 |
LogP (Chemaxon): | 4.19 |
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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