N-(2H-1,3-benzodioxol-5-yl)-2-[6-methyl-5-(morpholine-4-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[6-methyl-5-(morpholine-4-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[6-methyl-5-(morpholine-4-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | C096-0370 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[6-methyl-5-(morpholine-4-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 492.53 |
| Molecular Formula: | C20 H20 N4 O7 S2 |
| Smiles: | Cc1c(c2C(N(CC(Nc3ccc4c(c3)OCO4)=O)C=Nc2s1)=O)S(N1CCOCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0419 |
| logD: | 1.0419 |
| logSw: | -2.5757 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.126 |
| InChI Key: | SZCFOVUXUSCNGX-UHFFFAOYSA-N |