N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethylphenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethylphenyl)thiourea
N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethylphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3243 |
| Compound Name: | N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethylphenyl)thiourea |
| Molecular Weight: | 467.68 |
| Molecular Formula: | C30 H33 N3 S |
| Smiles: | CCc1ccc(cc1)NC(N(Cc1ccccc1)Cc1cccn1Cc1ccc(C)cc1C)=S |
| Stereo: | ACHIRAL |
| logP: | 7.9276 |
| logD: | 7.9276 |
| logSw: | -5.7489 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.4983 |
| InChI Key: | MMLRDAOGHQPAIG-UHFFFAOYSA-N |