N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]thiourea
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]thiourea
N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]thiourea
Compound characteristics
| Compound ID: | C087-1351 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]thiourea |
| Molecular Weight: | 417.63 |
| Molecular Formula: | C22 H31 N3 O S2 |
| Smiles: | CSc1cccc(c1)NC(N(CCCN1CCCCCC1)Cc1ccco1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.1954 |
| logD: | 3.1586 |
| logSw: | -4.9973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.4686 |
| InChI Key: | NFTMKPKKDRZGQY-UHFFFAOYSA-N |