N-[4-(cyanomethyl)phenyl]-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
N-[4-(cyanomethyl)phenyl]-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-2076 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(N1CC(C(Nc2ccc(CC#N)cc2)=O)Oc2cc(C)ccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.939 |
| logD: | 3.939 |
| logSw: | -4.0189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.974 |
| InChI Key: | KLVZITRKVZJSKX-XMMPIXPASA-N |