3-[4-(3-methoxybenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(3-methoxybenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
3-[4-(3-methoxybenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2531 |
| Compound Name: | 3-[4-(3-methoxybenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C23 H28 N2 O5 S |
| Smiles: | COc1cccc(c1)S(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3502 |
| logD: | 3.3502 |
| logSw: | -3.6075 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.924 |
| InChI Key: | KOULLQIHVKLLCK-UHFFFAOYSA-N |