N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-6783 |
| Compound Name: | N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 560.14 |
| Molecular Formula: | C33 H38 Cl N3 O3 |
| Smiles: | CC(C)CN(CCNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.9571 |
| logD: | 5.7741 |
| logSw: | -6.422 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.521 |
| InChI Key: | LOJGWBCWZDQNOF-UHFFFAOYSA-N |