N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(3-ethylphenyl)thiourea
Chemical Structure Depiction of
N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(3-ethylphenyl)thiourea
N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(3-ethylphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3817 |
| Compound Name: | N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(3-ethylphenyl)thiourea |
| Molecular Weight: | 480.12 |
| Molecular Formula: | C28 H34 Cl N3 S |
| Smiles: | CCc1cccc(c1)NC(N(Cc1ccc(Cc2ccccc2[Cl])[nH]1)C1CCCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 8.3748 |
| logD: | 8.3748 |
| logSw: | -6.7008 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 20.3567 |
| InChI Key: | APXNABXYEXRWRU-UHFFFAOYSA-N |