N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(5-chloro-2-methoxyphenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(5-chloro-2-methoxyphenyl)thiourea
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(5-chloro-2-methoxyphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3398 |
| Compound Name: | N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(5-chloro-2-methoxyphenyl)thiourea |
| Molecular Weight: | 528.48 |
| Molecular Formula: | C27 H24 Cl2 F N3 O S |
| Smiles: | COc1ccc(cc1NC(N(Cc1ccccc1)Cc1cccn1Cc1ccc(cc1[Cl])F)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.4111 |
| logD: | 7.4111 |
| logSw: | -6.5212 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.4309 |
| InChI Key: | ZQSASYRSHQZAQY-UHFFFAOYSA-N |