3-(1,3-benzothiazol-2-yl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
3-(1,3-benzothiazol-2-yl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
Compound characteristics
| Compound ID: | T634-0023 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | C(Cc1nc2ccccc2s1)C(N1CCOc2ccc(CN3CCOCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2064 |
| logD: | 3.1445 |
| logSw: | -3.1795 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.16 |
| InChI Key: | IXGMMPBEZDFCJI-UHFFFAOYSA-N |