N-(3-chloro-4-fluorophenyl)-3-(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}prop-1-en-1-yl)-1,2,4-thiadiazol-5-amine
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}prop-1-en-1-yl)-1,2,4-thiadiazol-5-amine
N-(3-chloro-4-fluorophenyl)-3-(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}prop-1-en-1-yl)-1,2,4-thiadiazol-5-amine
Compound characteristics
| Compound ID: | C120-0030 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}prop-1-en-1-yl)-1,2,4-thiadiazol-5-amine |
| Molecular Weight: | 477 |
| Molecular Formula: | C23 H26 Cl F N4 O2 S |
| Smiles: | CCOc1ccc(CCNC(\C)=C\c2nc(Nc3ccc(c(c3)[Cl])F)sn2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.5126 |
| logD: | 5.5099 |
| logSw: | -5.9386 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.141 |
| InChI Key: | SHYTUJZRNSHYSI-UHFFFAOYSA-N |