3-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one
3-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2649 |
| Compound Name: | 3-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | Cc1c(C(N2CCOc3ccc(CCC(N4CCOCC4)=O)cc3C2)=O)sc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1917 |
| logD: | 2.1916 |
| logSw: | -2.735 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.249 |
| InChI Key: | BCMLOFSQUWTZKP-UHFFFAOYSA-N |