N-[2-(azepan-1-yl)ethyl]-2-benzylidene-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-benzylidene-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[2-(azepan-1-yl)ethyl]-2-benzylidene-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9506 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-benzylidene-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C24 H27 N3 O2 S |
| Smiles: | C1CCCN(CC1)CCNC(c1ccc2c(c1)NC(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2561 |
| logD: | 3.2794 |
| logSw: | -4.0824 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.413 |
| InChI Key: | TUYMTXTZAYKKPJ-UHFFFAOYSA-N |