N-(2,6-dichlorophenyl)-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dichlorophenyl)-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2,6-dichlorophenyl)-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4112-0956 |
| Compound Name: | N-(2,6-dichlorophenyl)-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 454.4 |
| Molecular Formula: | C19 H17 Cl2 N3 O2 S2 |
| Smiles: | Cc1c2C(N(CC=C)C(=Nc2sc1C)SCC(Nc1c(cccc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0507 |
| logD: | 5.0446 |
| logSw: | -5.3747 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.677 |
| InChI Key: | JAXXKAKEMRHYQQ-UHFFFAOYSA-N |