N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-ethylphenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-ethylphenyl)thiourea
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-ethylphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3394 |
| Compound Name: | N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-ethylphenyl)thiourea |
| Molecular Weight: | 492.06 |
| Molecular Formula: | C28 H27 Cl F N3 S |
| Smiles: | CCc1cccc(c1)NC(N(Cc1ccccc1)Cc1cccn1Cc1ccc(cc1[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 7.605 |
| logD: | 7.605 |
| logSw: | -6.669 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.4983 |
| InChI Key: | OJQBDQQGUFJEFI-UHFFFAOYSA-N |