[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](5-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](5-methylthiophen-2-yl)methanone
[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S978-0120 |
| Compound Name: | [(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 370.51 |
| Molecular Formula: | C21 H26 N2 O2 S |
| Smiles: | Cc1ccc(C(N2Cc3cc(CN4CCCC4)ccc3OC[C@@H]2C)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 4.2162 |
| logD: | 2.1547 |
| logSw: | -4.2086 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7308 |
| InChI Key: | BBOPSYUWYRBXMG-HNNXBMFYSA-N |