N-[(2-chlorophenyl)methyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[(2-chlorophenyl)methyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0628 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 408.9 |
| Molecular Formula: | C19 H21 Cl N2 O4 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(NCc1ccccc1[Cl])=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0557 |
| logD: | 3.0557 |
| logSw: | -3.4241 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.966 |
| InChI Key: | YQLASBGJAXYQLF-SFHVURJKSA-N |