N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C280-1006 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C25 H25 N3 O4 S2 |
| Smiles: | CC1CC2=C(C(N(CCc3ccccc3)C(=N2)SCC(Nc2ccc3c(c2)OCCO3)=O)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2131 |
| logD: | 3.2131 |
| logSw: | -3.4976 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.059 |
| InChI Key: | LFBDSGQXYIRNTH-INIZCTEOSA-N |