3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}prop-1-en-1-yl)-N-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-1,2,4-thiadiazol-5-amine
3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}prop-1-en-1-yl)-N-(3,4-dichlorophenyl)-1,2,4-thiadiazol-5-amine
Compound characteristics
| Compound ID: | C120-0048 |
| Compound Name: | 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}prop-1-en-1-yl)-N-(3,4-dichlorophenyl)-1,2,4-thiadiazol-5-amine |
| Molecular Weight: | 435.33 |
| Molecular Formula: | C19 H16 Cl2 N4 O2 S |
| Smiles: | C/C(=C\c1nc(Nc2ccc(c(c2)[Cl])[Cl])sn1)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.997 |
| logD: | 5.9958 |
| logSw: | -6.2385 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.995 |
| InChI Key: | SCAAZZNSTOUSNG-UHFFFAOYSA-N |