N-(adamantan-1-yl)-2-{[5-(4-methylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-2-{[5-(4-methylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(adamantan-1-yl)-2-{[5-(4-methylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 3993-2651 |
| Compound Name: | N-(adamantan-1-yl)-2-{[5-(4-methylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 505.7 |
| Molecular Formula: | C28 H31 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)c1csc2c1C(N(CC=C)C(=N2)SCC(NC12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1628 |
| logD: | 6.1628 |
| logSw: | -5.6039 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.819 |
| InChI Key: | HIGRDIHNOMXWIE-UHFFFAOYSA-N |