N-[4-(cyanomethyl)phenyl]-4-(methanesulfonyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-4-(methanesulfonyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
N-[4-(cyanomethyl)phenyl]-4-(methanesulfonyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-0318 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-4-(methanesulfonyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Smiles: | Cc1ccc2c(c1)N(CC(C(Nc1ccc(CC#N)cc1)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8848 |
| logD: | 1.8848 |
| logSw: | -2.8123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.738 |
| InChI Key: | KHYHRDICYSCKRU-GOSISDBHSA-N |