N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | C096-0525 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 532.64 |
| Molecular Formula: | C24 H28 N4 O6 S2 |
| Smiles: | CC1CCN(CC1)S(c1c2C(N(CC(NCC3COc4ccccc4O3)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0184 |
| logD: | 2.0184 |
| logSw: | -2.569 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.103 |
| InChI Key: | IWOAGMCLPJOLGZ-KRWDZBQOSA-N |