methyl 2-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y505-2815 |
| Compound Name: | methyl 2-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 464.46 |
| Molecular Formula: | C21 H16 N6 O5 S |
| Smiles: | COC(c1c2CCCc2sc1NC(c1cc(c2cccc(c2)[N+]([O-])=O)nc2ncnn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5565 |
| logD: | 0.9958 |
| logSw: | -4.1284 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.449 |
| InChI Key: | HDYODSAAKDPNFU-UHFFFAOYSA-N |