N-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-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: | 4112-0304 |
| Compound Name: | N-(2,4-dimethylphenyl)-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: | 425.57 |
| Molecular Formula: | C22 H23 N3 O2 S2 |
| Smiles: | Cc1ccc(c(C)c1)NC(CSC1=Nc2c(C(N1CC=C)=O)c1CCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.452 |
| logD: | 4.452 |
| logSw: | -4.4507 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.661 |
| InChI Key: | XOYAIPASWHWPMI-UHFFFAOYSA-N |