methyl 2-chloro-4-{2-[4-(dimethylamino)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 2-chloro-4-{2-[4-(dimethylamino)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
methyl 2-chloro-4-{2-[4-(dimethylamino)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
Compound characteristics
Compound ID: | C777-0356 |
Compound Name: | methyl 2-chloro-4-{2-[4-(dimethylamino)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate |
Molecular Weight: | 391.87 |
Molecular Formula: | C18 H18 Cl N3 O3 S |
Smiles: | CN(C)c1ccc(cc1)NC(Cn1c(cc2c1cc(s2)[Cl])C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 3.886 |
logD: | 3.8775 |
logSw: | -4.3558 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.839 |
InChI Key: | NJSJGYQZFQNTPB-UHFFFAOYSA-N |