3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}prop-1-en-1-yl)-N-(3-chloro-4-fluorophenyl)-1,2,4-thiadiazol-5-amine
Chemical Structure Depiction of
3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}prop-1-en-1-yl)-N-(3-chloro-4-fluorophenyl)-1,2,4-thiadiazol-5-amine
3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}prop-1-en-1-yl)-N-(3-chloro-4-fluorophenyl)-1,2,4-thiadiazol-5-amine
Compound characteristics
| Compound ID: | C120-0035 |
| Compound Name: | 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}prop-1-en-1-yl)-N-(3-chloro-4-fluorophenyl)-1,2,4-thiadiazol-5-amine |
| Molecular Weight: | 418.88 |
| Molecular Formula: | C19 H16 Cl F N4 O2 S |
| Smiles: | C/C(=C\c1nc(Nc2ccc(c(c2)[Cl])F)sn1)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.2529 |
| logD: | 5.2516 |
| logSw: | -5.7987 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.995 |
| InChI Key: | ZOVUXJVJISOEDH-UHFFFAOYSA-N |