N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea
Compound characteristics
| Compound ID: | K788-6443 |
| Compound Name: | N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-ethoxyphenyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea |
| Molecular Weight: | 511.13 |
| Molecular Formula: | C28 H35 Cl N4 O S |
| Smiles: | CCOc1ccc(cc1)NC(N(CCCN1CCCC1)Cc1cccn1Cc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.1295 |
| logD: | 3.6327 |
| logSw: | -6.2091 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.9488 |
| InChI Key: | GNYMYZXEVAJDIH-UHFFFAOYSA-N |