N-benzyl-N'-(4-chloro-2-methoxyphenyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Chemical Structure Depiction of
N-benzyl-N'-(4-chloro-2-methoxyphenyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
N-benzyl-N'-(4-chloro-2-methoxyphenyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Compound characteristics
| Compound ID: | K788-2981 |
| Compound Name: | N-benzyl-N'-(4-chloro-2-methoxyphenyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea |
| Molecular Weight: | 510.48 |
| Molecular Formula: | C27 H25 Cl2 N3 O S |
| Smiles: | COc1cc(ccc1NC(N(Cc1ccccc1)Cc1cccn1Cc1ccccc1[Cl])=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.5755 |
| logD: | 7.5755 |
| logSw: | -6.4971 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.4309 |
| InChI Key: | XBUKBBSEPLUEIP-UHFFFAOYSA-N |