4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]benzamide
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | C700-0831 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]benzamide |
| Molecular Weight: | 567.79 |
| Molecular Formula: | C35 H41 N3 O2 S |
| Smiles: | CCC1CCCCN1CCCNC(c1ccc(\C=C2/C(N(Cc3cc(C)ccc3C)c3ccccc3S2)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2055 |
| logD: | 4.3385 |
| logSw: | -5.532 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.119 |
| InChI Key: | HXCIJUUYCMFXHF-PMERELPUSA-N |