methyl 2-{3-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{3-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{3-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3993-2815 |
| Compound Name: | methyl 2-{3-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C18 H18 N4 O3 S2 |
| Smiles: | COC(c1c2CCCc2sc1NC(CCSc1nnc2ccccn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3553 |
| logD: | -0.0611 |
| logSw: | -2.78 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.563 |
| InChI Key: | MHHFYIVNRIVYPQ-UHFFFAOYSA-N |