methyl 2-[([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7213-0477 |
| Compound Name: | methyl 2-[([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 371.42 |
| Molecular Formula: | C17 H17 N5 O3 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(c1nc2ncccn2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0449 |
| logD: | -1.5429 |
| logSw: | -2.6005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.168 |
| InChI Key: | LHUSMTSEDQVWEE-UHFFFAOYSA-N |