4-(benzenesulfonyl)-6-chloro-N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
4-(benzenesulfonyl)-6-chloro-N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
4-(benzenesulfonyl)-6-chloro-N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-1780 |
| Compound Name: | 4-(benzenesulfonyl)-6-chloro-N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C23 H18 Cl N3 O4 S |
| Smiles: | C(C#N)c1ccc(cc1)NC(C1CN(c2cc(ccc2O1)[Cl])S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.461 |
| logD: | 3.461 |
| logSw: | -3.9204 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.974 |
| InChI Key: | PYRVRFISBAYFSL-JOCHJYFZSA-N |