ethyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | D054-0259 |
Compound Name: | ethyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 425.95 |
Molecular Formula: | C18 H20 Cl N3 O3 S2 |
Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1c(C(=O)OCC)c2CCCCc2s1 |
Stereo: | ACHIRAL |
logP: | 4.8566 |
logD: | 0.0101 |
logSw: | -5.0925 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.384 |
InChI Key: | KEPBJAAYVOVNDW-UHFFFAOYSA-N |