N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-(4-methoxyphenyl)thiourea
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-(4-methoxyphenyl)thiourea
N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-(4-methoxyphenyl)thiourea
Compound characteristics
| Compound ID: | C087-0790 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-N-[(furan-2-yl)methyl]-N'-(4-methoxyphenyl)thiourea |
| Molecular Weight: | 401.57 |
| Molecular Formula: | C22 H31 N3 O2 S |
| Smiles: | COc1ccc(cc1)NC(N(CCCN1CCCCCC1)Cc1ccco1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7168 |
| logD: | 2.68 |
| logSw: | -4.2138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.0124 |
| InChI Key: | FIIDHQSFPYVIDG-UHFFFAOYSA-N |