4-amino-3-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-2-ol
Chemical Structure Depiction of
4-amino-3-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-2-ol
4-amino-3-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-2-ol
Compound characteristics
| Compound ID: | Y501-8033 |
| Compound Name: | 4-amino-3-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-2-ol |
| Molecular Weight: | 598.54 |
| Molecular Formula: | C25 H24 Br N7 O2 S2 |
| Smiles: | CCOc1ccc(cc1)n1c(c2c(c(C)n(C)n2)[Br])nnc1Sc1c(c2c3CCCc3sc2nc1O)N |
| Stereo: | ACHIRAL |
| logP: | 4.6125 |
| logD: | 4.0286 |
| logSw: | -4.6673 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.223 |
| InChI Key: | KVSWHGWIVWQKHT-UHFFFAOYSA-N |