propan-2-yl 2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
propan-2-yl 2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V022-4219 |
| Compound Name: | propan-2-yl 2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 501.64 |
| Molecular Formula: | C26 H35 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)OC(c1c(C)c2C(NC(CN(CC(COC(C)(C)C)O)Cc3ccccc3)=Nc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0958 |
| logD: | 4.0923 |
| logSw: | -4.2973 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.551 |
| InChI Key: | ZVAKHARHIBQVSN-IBGZPJMESA-N |