N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-(2-methylphenyl)thiourea
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-(2-methylphenyl)thiourea
N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-(2-methylphenyl)thiourea
Compound characteristics
| Compound ID: | C087-0025 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-(2-methylphenyl)thiourea |
| Molecular Weight: | 385.57 |
| Molecular Formula: | C22 H31 N3 O S |
| Smiles: | Cc1ccccc1NC(N(CCCN1CCCCCC1)Cc1ccco1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.8729 |
| logD: | 2.8362 |
| logSw: | -4.3613 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.7708 |
| InChI Key: | IJVCSOHYDCZEKP-UHFFFAOYSA-N |