N-(3-chloro-4-fluorophenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | C096-0018 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 606.09 |
| Molecular Formula: | C26 H25 Cl F N5 O5 S2 |
| Smiles: | Cc1c(c2C(N(CC(Nc3ccc(c(c3)[Cl])F)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ccccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6507 |
| logD: | 3.6448 |
| logSw: | -4.3585 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.691 |
| InChI Key: | KMTSVUDTUKHCCS-UHFFFAOYSA-N |