N-[2-(azepan-1-yl)ethyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
N-[2-(azepan-1-yl)ethyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
Compound characteristics
| Compound ID: | K788-3025 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C24 H27 N3 O2 S |
| Smiles: | C1CCCN(CC1)CCNC(c1ccc(\C=C2/C(Nc3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7198 |
| logD: | 2.7431 |
| logSw: | -4.0039 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.413 |
| InChI Key: | GJQKEFPVAFOKAX-UHFFFAOYSA-N |