5-(methanesulfonyl)-7-methyl-N-[3-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-7-methyl-N-[3-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-7-methyl-N-[3-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0606 |
| Compound Name: | 5-(methanesulfonyl)-7-methyl-N-[3-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C19 H22 N2 O4 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1cccc(c1)SC)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2174 |
| logD: | 3.2174 |
| logSw: | -3.5876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.644 |
| InChI Key: | RHTVYDUTNRPHJM-GOSISDBHSA-N |