N'-(3-chloro-4-methoxyphenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Chemical Structure Depiction of
N'-(3-chloro-4-methoxyphenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
N'-(3-chloro-4-methoxyphenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Compound characteristics
| Compound ID: | K788-3408 |
| Compound Name: | N'-(3-chloro-4-methoxyphenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea |
| Molecular Weight: | 552.57 |
| Molecular Formula: | C30 H31 Cl2 N3 O S |
| Smiles: | Cc1ccc(Cn2cccc2CN(CCc2ccc(cc2)[Cl])C(Nc2ccc(c(c2)[Cl])OC)=S)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.3839 |
| logD: | 8.3839 |
| logSw: | -6.6158 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.1071 |
| InChI Key: | OZZFJAVVJOYFSY-UHFFFAOYSA-N |