7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | G867-0111 |
| Compound Name: | 7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C22 H20 F N7 O4 S |
| Smiles: | C1CN(CCN1c1c2c(ncn1)n(c1cccc(c1)F)nn2)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0212 |
| logD: | 2.0211 |
| logSw: | -2.5883 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.967 |
| InChI Key: | CIOLBTGRNCDFKP-UHFFFAOYSA-N |