N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-(4-methylphenyl)thiourea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-(4-methylphenyl)thiourea
N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-(4-methylphenyl)thiourea
Compound characteristics
| Compound ID: | C087-0690 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-(4-methylphenyl)thiourea |
| Molecular Weight: | 371.54 |
| Molecular Formula: | C21 H29 N3 O S |
| Smiles: | Cc1ccc(cc1)NC(N(CCN1CCCCCC1)Cc1ccco1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.8837 |
| logD: | 2.0587 |
| logSw: | -4.3747 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.4686 |
| InChI Key: | KUNCRAIZKZDHBM-UHFFFAOYSA-N |