N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L459-0460 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C25 H21 N3 O4 S2 |
| Smiles: | C=CCN1C(=Nc2cc(c3ccccc3)sc2C1=O)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0339 |
| logD: | 4.0339 |
| logSw: | -4.1723 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.74 |
| InChI Key: | HCPXTCAKNJLOKC-UHFFFAOYSA-N |