N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0499 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(NCc1ccc3c(c1)OCO3)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1868 |
| logD: | 2.1868 |
| logSw: | -2.7883 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.082 |
| InChI Key: | VKNRKMMGTHRVBO-GOSISDBHSA-N |