4-({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-N-(2-hydroxyethyl)benzamide
Chemical Structure Depiction of
4-({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-N-(2-hydroxyethyl)benzamide
4-({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-N-(2-hydroxyethyl)benzamide
Compound characteristics
| Compound ID: | 3334-5655 |
| Compound Name: | 4-({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-N-(2-hydroxyethyl)benzamide |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C21 H23 N3 O3 S2 |
| Smiles: | Cc1c2C(N(CC=C)C(=Nc2sc1C)SCc1ccc(cc1)C(NCCO)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.531 |
| logD: | 2.531 |
| logSw: | -2.5825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.105 |
| InChI Key: | TXXCZCPMQLKDCW-UHFFFAOYSA-N |