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Chemical ID: 7270024
Chemical ID:
7270024
Name [?]:
4-cyclopropylamino-3-nitro-N-(p-tolylmethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])NC3CC3
InChi [?]:
InChI=1/C18H19N3O3/c1-12-2-4-13(5-3-12)11-19-18(22)14-6-9-16(20-15-7-8-15)17(10-14)21(23)24/h2-6,9-10,15,20H,7-8,11H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,13,23,24,14,17,8,2,5,12,22,15,16,10,9,21,18,11,19,20/E:(2,3)(4,5)(7,8)(23,24)/CRV:21.5/rA:24nCCCCCCCCNCOCCCCCCN+OO-NCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s21;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O3 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.7706 |
Area: | 562.356 |
Solvation: | -7.28829 |
Coulombic: | -47.1439 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 325.362 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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