[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-2-yl)methanone
[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S978-0116 |
| Compound Name: | [(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C20 H24 N2 O2 S |
| Smiles: | C[C@H]1COc2ccc(CN3CCCC3)cc2CN1C(c1cccs1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5804 |
| logD: | 1.5189 |
| logSw: | -3.6058 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7308 |
| InChI Key: | VZYVGCRIPVKFCB-HNNXBMFYSA-N |