5-chloro-2-(methylsulfanyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(methylsulfanyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrimidine-4-carboxamide
5-chloro-2-(methylsulfanyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0171 |
| Compound Name: | 5-chloro-2-(methylsulfanyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrimidine-4-carboxamide |
| Molecular Weight: | 467.01 |
| Molecular Formula: | C20 H23 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1c(C(NCC2CCCO2)=O)c2CCCCc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.45 |
| logD: | 0.1361 |
| logSw: | -4.0696 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.698 |
| InChI Key: | ZQYVRHSNGXPFMP-LLVKDONJSA-N |