N-benzyl-N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)thiourea
N-benzyl-N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)thiourea
Compound characteristics
| Compound ID: | K788-4733 |
| Compound Name: | N-benzyl-N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)thiourea |
| Molecular Weight: | 490.07 |
| Molecular Formula: | C28 H28 Cl N3 O S |
| Smiles: | CCOc1ccc(cc1)NC(N(Cc1ccccc1)Cc1cccn1Cc1cccc(c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.9496 |
| logD: | 6.9496 |
| logSw: | -6.3618 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.6219 |
| InChI Key: | OQVWYKCMHNGADE-UHFFFAOYSA-N |