propan-2-yl 5-methyl-4-oxo-2-{[(prop-2-en-1-yl)amino]methyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 5-methyl-4-oxo-2-{[(prop-2-en-1-yl)amino]methyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
propan-2-yl 5-methyl-4-oxo-2-{[(prop-2-en-1-yl)amino]methyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V021-9894 |
| Compound Name: | propan-2-yl 5-methyl-4-oxo-2-{[(prop-2-en-1-yl)amino]methyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 321.4 |
| Molecular Formula: | C15 H19 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)OC(c1c(C)c2C(NC(CNCC=C)=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8817 |
| logD: | 1.8612 |
| logSw: | -2.3496 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.386 |
| InChI Key: | BQWQJHRULRLPGY-UHFFFAOYSA-N |