4-(benzenesulfonyl)-N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
4-(benzenesulfonyl)-N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
4-(benzenesulfonyl)-N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-1173 |
| Compound Name: | 4-(benzenesulfonyl)-N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | C(C#N)c1ccc(cc1)NC(C1CN(c2ccccc2O1)S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8789 |
| logD: | 2.8789 |
| logSw: | -3.7149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.974 |
| InChI Key: | KHYDROSLFRWIPT-JOCHJYFZSA-N |