N-(3-chloro-4-fluorophenyl)-3-(2-{[2-(cyclohex-1-en-1-yl)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-(cyclohex-1-en-1-yl)ethyl]amino}prop-1-en-1-yl)-1,2,4-thiadiazol-5-amine
N-(3-chloro-4-fluorophenyl)-3-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}prop-1-en-1-yl)-1,2,4-thiadiazol-5-amine
Compound characteristics
| Compound ID: | C120-0020 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}prop-1-en-1-yl)-1,2,4-thiadiazol-5-amine |
| Molecular Weight: | 392.92 |
| Molecular Formula: | C19 H22 Cl F N4 S |
| Smiles: | C/C(=C\c1nc(Nc2ccc(c(c2)[Cl])F)sn1)NCCC1CCCCC=1 |
| Stereo: | ACHIRAL |
| logP: | 5.8747 |
| logD: | 5.8645 |
| logSw: | -6.062 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.913 |
| InChI Key: | ISYLYCSXVXLADW-UHFFFAOYSA-N |