N-{3-[butyl(methyl)amino]propyl}-N'-[3-(methylsulfanyl)phenyl]-N-[(thiophen-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-{3-[butyl(methyl)amino]propyl}-N'-[3-(methylsulfanyl)phenyl]-N-[(thiophen-2-yl)methyl]thiourea
N-{3-[butyl(methyl)amino]propyl}-N'-[3-(methylsulfanyl)phenyl]-N-[(thiophen-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-1342 |
| Compound Name: | N-{3-[butyl(methyl)amino]propyl}-N'-[3-(methylsulfanyl)phenyl]-N-[(thiophen-2-yl)methyl]thiourea |
| Molecular Weight: | 421.69 |
| Molecular Formula: | C21 H31 N3 S3 |
| Smiles: | CCCCN(C)CCCN(Cc1cccs1)C(Nc1cccc(c1)SC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.516 |
| logD: | 3.5105 |
| logSw: | -5.4449 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.7687 |
| InChI Key: | KLCCONUMGSYDPR-UHFFFAOYSA-N |