3-(1,3-benzothiazol-2-yl)-1-{7-[(piperidin-1-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-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
3-(1,3-benzothiazol-2-yl)-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
Compound characteristics
| Compound ID: | T634-0721 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C25 H29 N3 O2 S |
| Smiles: | C1CCN(CC1)Cc1ccc2c(CN(CCO2)C(CCc2nc3ccccc3s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3134 |
| logD: | 2.6823 |
| logSw: | -4.2636 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.252 |
| InChI Key: | BNZJSGMXBAVSQM-UHFFFAOYSA-N |