N'-[3-(methylsulfanyl)phenyl]-N-[3-(pyrrolidin-1-yl)propyl]-N-[(thiophen-2-yl)methyl]thiourea
Chemical Structure Depiction of
N'-[3-(methylsulfanyl)phenyl]-N-[3-(pyrrolidin-1-yl)propyl]-N-[(thiophen-2-yl)methyl]thiourea
N'-[3-(methylsulfanyl)phenyl]-N-[3-(pyrrolidin-1-yl)propyl]-N-[(thiophen-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-1334 |
| Compound Name: | N'-[3-(methylsulfanyl)phenyl]-N-[3-(pyrrolidin-1-yl)propyl]-N-[(thiophen-2-yl)methyl]thiourea |
| Molecular Weight: | 405.65 |
| Molecular Formula: | C20 H27 N3 S3 |
| Smiles: | CSc1cccc(c1)NC(N(CCCN1CCCC1)Cc1cccs1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7598 |
| logD: | 2.2631 |
| logSw: | -4.4333 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.7732 |
| InChI Key: | PQWNLDQPZLWCBA-UHFFFAOYSA-N |