7-(5-bromofuran-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(5-bromofuran-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(5-bromofuran-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0031 |
| Compound Name: | 7-(5-bromofuran-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 327.13 |
| Molecular Formula: | C11 H11 Br N4 O3 |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(c1ccc(o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0974 |
| logD: | 1.091 |
| logSw: | -1.8683 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.499 |
| InChI Key: | CHLZVQTYLVPFLZ-UHFFFAOYSA-N |