N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-(3-methoxyphenyl)thiourea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-(3-methoxyphenyl)thiourea
N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-(3-methoxyphenyl)thiourea
Compound characteristics
| Compound ID: | C087-0282 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-(3-methoxyphenyl)thiourea |
| Molecular Weight: | 387.54 |
| Molecular Formula: | C21 H29 N3 O2 S |
| Smiles: | COc1cccc(c1)NC(N(CCN1CCCCCC1)Cc1ccco1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.5268 |
| logD: | 1.7017 |
| logSw: | -4.1682 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.0124 |
| InChI Key: | HAXOAHKVJHRXEN-UHFFFAOYSA-N |