N-[2-(azepan-1-yl)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-(azepan-1-yl)ethyl]-4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[2-(azepan-1-yl)ethyl]-4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-6785 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 530.07 |
| Molecular Formula: | C31 H32 Cl N3 O3 |
| Smiles: | C1CCCN(CC1)CCNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7814 |
| logD: | 4.8046 |
| logSw: | -6.2053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.601 |
| InChI Key: | PRJSPTQMMYIUBG-UHFFFAOYSA-N |