1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(thiophen-3-yl)ethan-1-one
1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S979-0333 |
| Compound Name: | 1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(Cc1ccsc1)=O)C(N1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0207 |
| logD: | 3.0207 |
| logSw: | -3.2117 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.119 |
| InChI Key: | JSODLDJUJCKSDO-HNNXBMFYSA-N |