N-[2-(azepan-1-yl)ethyl]-N'-(5-chloro-2-methoxyphenyl)-N-[(furan-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N'-(5-chloro-2-methoxyphenyl)-N-[(furan-2-yl)methyl]thiourea
N-[2-(azepan-1-yl)ethyl]-N'-(5-chloro-2-methoxyphenyl)-N-[(furan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-0537 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N'-(5-chloro-2-methoxyphenyl)-N-[(furan-2-yl)methyl]thiourea |
| Molecular Weight: | 421.99 |
| Molecular Formula: | C21 H28 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1NC(N(CCN1CCCCCC1)Cc1ccco1)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0568 |
| logD: | 2.2318 |
| logSw: | -5.0582 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.4012 |
| InChI Key: | RCZURJQIYOETNZ-UHFFFAOYSA-N |