N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)thiourea
Chemical Structure Depiction of
N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)thiourea
N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3730 |
| Compound Name: | N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)thiourea |
| Molecular Weight: | 489.72 |
| Molecular Formula: | C30 H39 N3 O S |
| Smiles: | CCOc1ccc(cc1)NC(N(Cc1cccn1Cc1ccc(C)cc1C)C1CCCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 8.3358 |
| logD: | 8.3358 |
| logSw: | -5.5521 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.1976 |
| InChI Key: | HQFKYRXSVLCYLM-UHFFFAOYSA-N |