N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1256 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 438.89 |
| Molecular Formula: | C19 H19 Cl N2 O6 S |
| Smiles: | CS(N1CCC(C(NCc2ccc3c(c2)OCO3)=O)Oc2ccc(cc12)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3114 |
| logD: | 2.3114 |
| logSw: | -3.4214 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.082 |
| InChI Key: | RRDCLEWRMPVCPC-QGZVFWFLSA-N |