N-cycloheptyl-N'-(3,4-dimethoxyphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Chemical Structure Depiction of
N-cycloheptyl-N'-(3,4-dimethoxyphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
N-cycloheptyl-N'-(3,4-dimethoxyphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Compound characteristics
| Compound ID: | K788-3724 |
| Compound Name: | N-cycloheptyl-N'-(3,4-dimethoxyphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea |
| Molecular Weight: | 505.72 |
| Molecular Formula: | C30 H39 N3 O2 S |
| Smiles: | Cc1ccc(Cn2cccc2CN(C2CCCCCC2)C(Nc2ccc(c(c2)OC)OC)=S)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.5018 |
| logD: | 7.5018 |
| logSw: | -5.5886 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.3348 |
| InChI Key: | IVOYYJHFMDGKDD-UHFFFAOYSA-N |