5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D053-0233 |
Compound Name: | 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide |
Molecular Weight: | 396.87 |
Molecular Formula: | C15 H13 Cl N4 O3 S2 |
Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1c(C#N)c2CCCCc2s1 |
Stereo: | ACHIRAL |
logP: | 2.3263 |
logD: | -2.5969 |
logSw: | -3.4334 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.263 |
InChI Key: | OKLNXEXAZULSTJ-UHFFFAOYSA-N |