N-[3-(azepan-1-yl)propyl]-N'-(2-chlorophenyl)-N-[(furan-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N'-(2-chlorophenyl)-N-[(furan-2-yl)methyl]thiourea
N-[3-(azepan-1-yl)propyl]-N'-(2-chlorophenyl)-N-[(furan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-1402 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-N'-(2-chlorophenyl)-N-[(furan-2-yl)methyl]thiourea |
| Molecular Weight: | 405.99 |
| Molecular Formula: | C21 H28 Cl N3 O S |
| Smiles: | C1CCCN(CC1)CCCN(Cc1ccco1)C(Nc1ccccc1[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.1289 |
| logD: | 3.0921 |
| logSw: | -5.6348 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.7708 |
| InChI Key: | HFRDDNQFXYMVNB-UHFFFAOYSA-N |