N-(3-bromophenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(3-bromophenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(3-bromophenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0543 |
| Compound Name: | N-(3-bromophenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 439.33 |
| Molecular Formula: | C18 H19 Br N2 O4 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1cccc(c1)[Br])=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5645 |
| logD: | 3.564 |
| logSw: | -3.7916 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.644 |
| InChI Key: | LTZUSNUNTNBODZ-KRWDZBQOSA-N |