N-(2,6-dichlorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dichlorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2,6-dichlorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4112-4090 |
| Compound Name: | N-(2,6-dichlorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 466.41 |
| Molecular Formula: | C20 H17 Cl2 N3 O2 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCc1s2)SCC(Nc1c(cccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.098 |
| logD: | 5.0919 |
| logSw: | -5.7719 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.964 |
| InChI Key: | NJMLHRSKVSHHBA-UHFFFAOYSA-N |