N-[3-(azepan-1-yl)propyl]-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[3-(azepan-1-yl)propyl]-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-8940 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 560.16 |
| Molecular Formula: | C32 H34 Cl N3 O2 S |
| Smiles: | C1CCCN(CC1)CCCNC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5956 |
| logD: | 4.0249 |
| logSw: | -6.4237 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.638 |
| InChI Key: | SSQYYFGNCDACDK-UHFFFAOYSA-N |