N-[4-(cyanomethyl)phenyl]-4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
N-[4-(cyanomethyl)phenyl]-4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-0093 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C18 H17 N3 O4 S |
| Smiles: | CS(N1CC(C(Nc2ccc(CC#N)cc2)=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4274 |
| logD: | 1.4274 |
| logSw: | -2.2917 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.738 |
| InChI Key: | OYVWBSMOULCERA-QGZVFWFLSA-N |