N'-(4-chloro-2-methoxyphenyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptylthiourea
Chemical Structure Depiction of
N'-(4-chloro-2-methoxyphenyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptylthiourea
N'-(4-chloro-2-methoxyphenyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptylthiourea
Compound characteristics
| Compound ID: | K788-4237 |
| Compound Name: | N'-(4-chloro-2-methoxyphenyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptylthiourea |
| Molecular Weight: | 516.53 |
| Molecular Formula: | C27 H31 Cl2 N3 O S |
| Smiles: | COc1cc(ccc1NC(N(Cc1cccn1Cc1ccccc1[Cl])C1CCCCCC1)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.5454 |
| logD: | 8.5454 |
| logSw: | -6.5582 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.0066 |
| InChI Key: | USPDXHUIKVIZQQ-UHFFFAOYSA-N |