N-(3,4-dichlorophenyl)-3-(2-{[(3,4,5-trimethoxyphenyl)methyl]amino}prop-1-en-1-yl)-1,2,4-thiadiazol-5-amine
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-3-(2-{[(3,4,5-trimethoxyphenyl)methyl]amino}prop-1-en-1-yl)-1,2,4-thiadiazol-5-amine
N-(3,4-dichlorophenyl)-3-(2-{[(3,4,5-trimethoxyphenyl)methyl]amino}prop-1-en-1-yl)-1,2,4-thiadiazol-5-amine
Compound characteristics
| Compound ID: | C120-0052 |
| Compound Name: | N-(3,4-dichlorophenyl)-3-(2-{[(3,4,5-trimethoxyphenyl)methyl]amino}prop-1-en-1-yl)-1,2,4-thiadiazol-5-amine |
| Molecular Weight: | 481.4 |
| Molecular Formula: | C21 H22 Cl2 N4 O3 S |
| Smiles: | C/C(=C\c1nc(Nc2ccc(c(c2)[Cl])[Cl])sn1)NCc1cc(c(c(c1)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.8655 |
| logD: | 5.8322 |
| logSw: | -6.1021 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.857 |
| InChI Key: | ONKUZUGBFOIFEV-UHFFFAOYSA-N |