N-{3-[benzyl(propan-2-yl)amino]propyl}-N'-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-N'-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea
N-{3-[benzyl(propan-2-yl)amino]propyl}-N'-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea
Compound characteristics
| Compound ID: | C791-0799 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-N'-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea |
| Molecular Weight: | 516.71 |
| Molecular Formula: | C30 H36 N4 O2 S |
| Smiles: | CC(C)N(CCCNC(Nc1ccc2c(c1)N(Cc1ccc(C)cc1)C(CS2)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6633 |
| logD: | 3.8783 |
| logSw: | -5.2329 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.683 |
| InChI Key: | IBQMJHBJFYALLA-UHFFFAOYSA-N |