4-(methanesulfonyl)-6-methyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
4-(methanesulfonyl)-6-methyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
4-(methanesulfonyl)-6-methyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-0342 |
| Compound Name: | 4-(methanesulfonyl)-6-methyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 392.49 |
| Molecular Formula: | C18 H20 N2 O4 S2 |
| Smiles: | Cc1ccc2c(c1)N(CC(C(Nc1cccc(c1)SC)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9132 |
| logD: | 2.9132 |
| logSw: | -3.5157 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.246 |
| InChI Key: | XMSZXXDZVHJRLZ-QGZVFWFLSA-N |