N-[2-(azepan-1-yl)ethyl]-2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-[2-(azepan-1-yl)ethyl]-2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K788-1128 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C25 H29 N3 O2 S |
| Smiles: | C1CCCN(CC1)CCNC(CN1C(/C(=C/c2ccccc2)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1491 |
| logD: | 2.6635 |
| logSw: | -4.0382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.696 |
| InChI Key: | VUNCAHJLFMDAIE-UHFFFAOYSA-N |