N-(4-bromo-2-fluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(4-bromo-2-fluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0172 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 443.29 |
| Molecular Formula: | C17 H16 Br F N2 O4 S |
| Smiles: | CS(N1CCC(C(Nc2ccc(cc2F)[Br])=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2781 |
| logD: | 3.2474 |
| logSw: | -3.701 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.946 |
| InChI Key: | ZMVYEWPDCBBHLL-INIZCTEOSA-N |