N'-(3-chloro-4-fluorophenyl)-N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Chemical Structure Depiction of
N'-(3-chloro-4-fluorophenyl)-N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
N'-(3-chloro-4-fluorophenyl)-N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Compound characteristics
| Compound ID: | K788-3718 |
| Compound Name: | N'-(3-chloro-4-fluorophenyl)-N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea |
| Molecular Weight: | 498.11 |
| Molecular Formula: | C28 H33 Cl F N3 S |
| Smiles: | Cc1ccc(Cn2cccc2CN(C2CCCCCC2)C(Nc2ccc(c(c2)[Cl])F)=S)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.697 |
| logD: | 8.697 |
| logSw: | -6.6536 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.074 |
| InChI Key: | ZOIJJEIQAPAMPR-UHFFFAOYSA-N |