N-[3-(azepan-1-yl)propyl]-N'-(4-chlorophenyl)-N-[(furan-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N'-(4-chlorophenyl)-N-[(furan-2-yl)methyl]thiourea
N-[3-(azepan-1-yl)propyl]-N'-(4-chlorophenyl)-N-[(furan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-0076 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-N'-(4-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(Nc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.3292 |
| logD: | 3.2924 |
| logSw: | -6.014 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.4686 |
| InChI Key: | OMDKVZWWQJYWSX-UHFFFAOYSA-N |