N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(2-ethoxyphenyl)thiourea
Chemical Structure Depiction of
N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(2-ethoxyphenyl)thiourea
N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(2-ethoxyphenyl)thiourea
Compound characteristics
| Compound ID: | K788-4239 |
| Compound Name: | N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(2-ethoxyphenyl)thiourea |
| Molecular Weight: | 496.11 |
| Molecular Formula: | C28 H34 Cl N3 O S |
| Smiles: | CCOc1ccccc1NC(N(Cc1cccn1Cc1ccccc1[Cl])C1CCCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 8.0619 |
| logD: | 8.0619 |
| logSw: | -6.5886 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 18.5864 |
| InChI Key: | SQXNWBIBCHGXCN-UHFFFAOYSA-N |