N-[4-(cyanomethyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[4-(cyanomethyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0593 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1ccc(CC#N)cc1)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.189 |
| logD: | 2.189 |
| logSw: | -2.8609 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.136 |
| InChI Key: | GXBNJLTUYODDKP-LJQANCHMSA-N |