3-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
3-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2746 |
| Compound Name: | 3-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | Cc1c(CN2CCOc3ccc(CCC(N4CCOCC4)=O)cc3C2)scn1 |
| Stereo: | ACHIRAL |
| logP: | 2.0156 |
| logD: | 0.9439 |
| logSw: | -2.5263 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.15 |
| InChI Key: | CIQYYMDPEUTLOS-UHFFFAOYSA-N |