(3S)-4-(methanesulfonyl)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-(methanesulfonyl)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-(methanesulfonyl)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | S978-0154 |
| Compound Name: | (3S)-4-(methanesulfonyl)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 324.44 |
| Molecular Formula: | C16 H24 N2 O3 S |
| Smiles: | C[C@H]1COc2ccc(CN3CCCC3)cc2CN1S(C)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9815 |
| logD: | -0.1801 |
| logSw: | -2.6087 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.316 |
| InChI Key: | MVDRRPDHUCPJEA-ZDUSSCGKSA-N |