N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]urea
Chemical Structure Depiction of
N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]urea
N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]urea
Compound characteristics
| Compound ID: | C795-1173 |
| Compound Name: | N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]urea |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C28 H26 N4 O2 S |
| Smiles: | Cc1ccc(CN(Cc2cccn2c2nc3ccccc3s2)C(Nc2cccc(c2)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6868 |
| logD: | 6.6868 |
| logSw: | -5.5966 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.607 |
| InChI Key: | VKKDKYIKUILWRA-UHFFFAOYSA-N |