N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(4-ethylphenyl)-N-[(4-methylphenyl)methyl]urea
Chemical Structure Depiction of
N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(4-ethylphenyl)-N-[(4-methylphenyl)methyl]urea
N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(4-ethylphenyl)-N-[(4-methylphenyl)methyl]urea
Compound characteristics
| Compound ID: | C795-1172 |
| Compound Name: | N-{[1-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N'-(4-ethylphenyl)-N-[(4-methylphenyl)methyl]urea |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C29 H28 N4 O S |
| Smiles: | CCc1ccc(cc1)NC(N(Cc1ccc(C)cc1)Cc1cccn1c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.551 |
| logD: | 7.551 |
| logSw: | -5.6516 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.064 |
| InChI Key: | LAOQHMAEGGKUMM-UHFFFAOYSA-N |