3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | S629-0679 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide |
| Molecular Weight: | 392.47 |
| Molecular Formula: | C19 H24 N2 O5 S |
| Smiles: | Cc1ccc(CNC(CCc2ccc3c(CN(CCO3)S(C)(=O)=O)c2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.3871 |
| logD: | 2.3871 |
| logSw: | -2.911 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.12 |
| InChI Key: | MVRGTNLFZUYSLI-UHFFFAOYSA-N |