methyl 2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D054-0158 |
| Compound Name: | methyl 2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 397.9 |
| Molecular Formula: | C16 H16 Cl N3 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1c(C(=O)OC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0757 |
| logD: | -0.7708 |
| logSw: | -4.5886 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.804 |
| InChI Key: | IXRXAWAUJTUERY-UHFFFAOYSA-N |