3-cyclopentyl-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
Chemical Structure Depiction of
3-cyclopentyl-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
3-cyclopentyl-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S979-0347 |
| Compound Name: | 3-cyclopentyl-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C23 H32 N2 O3 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(CCC1CCCC1)=O)C(N1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.6924 |
| logD: | 3.6924 |
| logSw: | -3.971 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.659 |
| InChI Key: | XVANSLBKCCMTIR-QGZVFWFLSA-N |