4-butyl-N-[3-(4-chloro-3-nitroanilino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-butyl-N-[3-(4-chloro-3-nitroanilino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
4-butyl-N-[3-(4-chloro-3-nitroanilino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2447-3004 |
| Compound Name: | 4-butyl-N-[3-(4-chloro-3-nitroanilino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 491.97 |
| Molecular Formula: | C27 H26 Cl N3 O4 |
| Smiles: | CCCCc1ccc(cc1)C(NC(=C/c1ccc(C)cc1)\C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9425 |
| logD: | 5.4101 |
| logSw: | -6.4503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.335 |
| InChI Key: | OWKAKDJDZNQRGD-UHFFFAOYSA-N |