N-(2-bromo-4,6-difluorophenyl)-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(2-bromo-4,6-difluorophenyl)-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-(2-bromo-4,6-difluorophenyl)-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | C096-0448 |
| Compound Name: | N-(2-bromo-4,6-difluorophenyl)-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 575.45 |
| Molecular Formula: | C21 H21 Br F2 N4 O4 S2 |
| Smiles: | CC1CCN(CC1)S(c1c2C(N(CC(Nc3c(cc(cc3[Br])F)F)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0977 |
| logD: | 3.0438 |
| logSw: | -3.2218 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.706 |
| InChI Key: | BTPSNNJWIYPQRV-UHFFFAOYSA-N |