N-[2-(3,4-diethoxyphenyl)ethyl]-N'-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea
Compound characteristics
| Compound ID: | C791-0777 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-N'-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea |
| Molecular Weight: | 519.66 |
| Molecular Formula: | C29 H33 N3 O4 S |
| Smiles: | CCOc1ccc(CCNC(Nc2ccc3c(c2)N(Cc2ccc(C)cc2)C(CS3)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.8375 |
| logD: | 4.8375 |
| logSw: | -4.4552 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.506 |
| InChI Key: | MIXXABNCCSTJIY-UHFFFAOYSA-N |