2-(cyclopropylmethyl)-7-(2-methylfuran-3-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
2-(cyclopropylmethyl)-7-(2-methylfuran-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-(2-methylfuran-3-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: | S636-5156 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(2-methylfuran-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C16 H20 N4 O3 |
| Smiles: | Cc1c(cco1)C(N1CCC2=NN(CC3CC3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3325 |
| logD: | 1.3316 |
| logSw: | -1.9309 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.728 |
| InChI Key: | VOZZUTOPYRQXKD-UHFFFAOYSA-N |