N-(4-bromo-3-methylphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(4-bromo-3-methylphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0596 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 453.35 |
| Molecular Formula: | C19 H21 Br N2 O4 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1ccc(c(C)c1)[Br])=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.931 |
| logD: | 3.9307 |
| logSw: | -3.9196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.644 |
| InChI Key: | XTIUECPVAYMRJE-SFHVURJKSA-N |