3-(1,3-benzothiazol-2-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
3-(1,3-benzothiazol-2-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
Compound characteristics
| Compound ID: | M400-0381 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)C(CCc2nc3ccccc3s2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4704 |
| logD: | 3.4704 |
| logSw: | -3.7342 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.534 |
| InChI Key: | NOTLYMCDEQSDLY-UHFFFAOYSA-N |