2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | D068-0013 |
| Compound Name: | 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C22 H29 N3 O2 S |
| Smiles: | CCN(CC)C(CSc1c2COC(C)(C)Cc2nc(c2ccc(C)cc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2041 |
| logD: | 5.2017 |
| logSw: | -5.0804 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.193 |
| InChI Key: | KZRGYFKZZHVCIP-UHFFFAOYSA-N |