N-[(6-{3-[(2H-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5-bromofuran-2-carboxamide
Chemical Structure Depiction of
N-[(6-{3-[(2H-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5-bromofuran-2-carboxamide
N-[(6-{3-[(2H-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5-bromofuran-2-carboxamide
Compound characteristics
| Compound ID: | C908-0515 |
| Compound Name: | N-[(6-{3-[(2H-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5-bromofuran-2-carboxamide |
| Molecular Weight: | 541.36 |
| Molecular Formula: | C23 H21 Br N6 O5 |
| Smiles: | Cc1c(CCC(Nc2ccc3c(c2)OCO3)=O)c(C)n2c(n1)nc(CNC(c1ccc(o1)[Br])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.5293 |
| logD: | 2.5277 |
| logSw: | -2.974 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.699 |
| InChI Key: | SDBMECSXLVDVLQ-UHFFFAOYSA-N |