N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | Y505-2809 |
| Compound Name: | N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 431.43 |
| Molecular Formula: | C20 H13 N7 O3 S |
| Smiles: | C1Cc2c(C#N)c(NC(c3cc(c4cccc(c4)[N+]([O-])=O)nc4ncnn34)=O)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.4765 |
| logD: | 1.9344 |
| logSw: | -4.1396 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.332 |
| InChI Key: | OBMMUWVYEUYSFX-UHFFFAOYSA-N |