N-[4-(cyanomethyl)phenyl]-4-(4-methoxybenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-4-(4-methoxybenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
N-[4-(cyanomethyl)phenyl]-4-(4-methoxybenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-2411 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-4-(4-methoxybenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C24 H21 N3 O5 S |
| Smiles: | COc1ccc(cc1)S(N1CC(C(Nc2ccc(CC#N)cc2)=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0463 |
| logD: | 3.0463 |
| logSw: | -3.7997 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.518 |
| InChI Key: | JJIONJXBICSUKY-HSZRJFAPSA-N |