4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
Chemical Structure Depiction of
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
Compound characteristics
| Compound ID: | K788-6798 |
| Compound Name: | 4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide |
| Molecular Weight: | 580.13 |
| Molecular Formula: | C35 H34 Cl N3 O3 |
| Smiles: | CCN(CCCNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.255 |
| logD: | 7.2266 |
| logSw: | -6.3244 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.278 |
| InChI Key: | CTWLWVPOSPZNGF-UHFFFAOYSA-N |