N-{3-[bis(2-methylpropyl)amino]propyl}-N'-(5-chloro-2-methoxyphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-N'-(5-chloro-2-methoxyphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
N-{3-[bis(2-methylpropyl)amino]propyl}-N'-(5-chloro-2-methoxyphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Compound characteristics
| Compound ID: | K788-6144 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-N'-(5-chloro-2-methoxyphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea |
| Molecular Weight: | 589.67 |
| Molecular Formula: | C31 H42 Cl2 N4 O S |
| Smiles: | CC(C)CN(CCCN(Cc1cccn1Cc1ccc(cc1)[Cl])C(Nc1cc(ccc1OC)[Cl])=S)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 8.393 |
| logD: | 6.1326 |
| logSw: | -6.5953 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.6425 |
| InChI Key: | SGABPXKPDXNGOH-UHFFFAOYSA-N |