methyl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V013-7566 |
| Compound Name: | methyl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C19 H25 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)N(CC(COCC#C)O)CC1NC(c2c(C)c(C(=O)OC)sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3164 |
| logD: | 1.3154 |
| logSw: | -2.223 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.839 |
| InChI Key: | RDEACWVUYRAEOF-ZDUSSCGKSA-N |