N'-(2-ethyl-6-methylphenyl)-N-[3-(pyrrolidin-1-yl)propyl]-N-[(thiophen-2-yl)methyl]thiourea
Chemical Structure Depiction of
N'-(2-ethyl-6-methylphenyl)-N-[3-(pyrrolidin-1-yl)propyl]-N-[(thiophen-2-yl)methyl]thiourea
N'-(2-ethyl-6-methylphenyl)-N-[3-(pyrrolidin-1-yl)propyl]-N-[(thiophen-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-0977 |
| Compound Name: | N'-(2-ethyl-6-methylphenyl)-N-[3-(pyrrolidin-1-yl)propyl]-N-[(thiophen-2-yl)methyl]thiourea |
| Molecular Weight: | 401.64 |
| Molecular Formula: | C22 H31 N3 S2 |
| Smiles: | CCc1cccc(C)c1NC(N(CCCN1CCCC1)Cc1cccs1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.1294 |
| logD: | 2.6326 |
| logSw: | -4.9378 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.3775 |
| InChI Key: | BBFHXUYHBCZDJR-UHFFFAOYSA-N |