N-{3-[bis(2-methylpropyl)amino]propyl}-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-dimethylphenyl)thiourea
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-dimethylphenyl)thiourea
N-{3-[bis(2-methylpropyl)amino]propyl}-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-dimethylphenyl)thiourea
Compound characteristics
| Compound ID: | K788-6493 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-dimethylphenyl)thiourea |
| Molecular Weight: | 553.25 |
| Molecular Formula: | C32 H45 Cl N4 S |
| Smiles: | CC(C)CN(CCCN(Cc1cccn1Cc1ccc(cc1)[Cl])C(Nc1cc(C)cc(C)c1)=S)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 8.4894 |
| logD: | 6.229 |
| logSw: | -6.6181 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.7099 |
| InChI Key: | UADXXXLQUOSOFA-UHFFFAOYSA-N |