7-(5-bromofuran-2-carbonyl)-2-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1091 |
| Compound Name: | 7-(5-bromofuran-2-carbonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 385.21 |
| Molecular Formula: | C14 H17 Br N4 O4 |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)C(c1ccc(o1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0713 |
| logD: | 1.0713 |
| logSw: | -1.7743 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.49 |
| InChI Key: | XHVRUZLOJKDGKS-UHFFFAOYSA-N |