5-(2,4-dimethylphenyl)-2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(2,4-dimethylphenyl)-2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
5-(2,4-dimethylphenyl)-2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V022-7241 |
| Compound Name: | 5-(2,4-dimethylphenyl)-2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 467.63 |
| Molecular Formula: | C26 H33 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CCN(CC(COCC#C)O)CC1NC(c2c(csc2N=1)c1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4928 |
| logD: | 4.4925 |
| logSw: | -4.3111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.737 |
| InChI Key: | TXGUOUVZDOTGFH-FQEVSTJZSA-N |