N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]urea
Chemical Structure Depiction of
N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]urea
N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]urea
Compound characteristics
| Compound ID: | C795-1174 |
| Compound Name: | N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]urea |
| Molecular Weight: | 487.02 |
| Molecular Formula: | C27 H23 Cl N4 O S |
| Smiles: | Cc1ccc(CN(Cc2cccn2c2nc3ccccc3s2)C(Nc2ccccc2[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0672 |
| logD: | 7.0672 |
| logSw: | -6.2764 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.366 |
| InChI Key: | OXYJZFALGKTBJY-UHFFFAOYSA-N |