2-(2-methoxyethyl)-7-(pent-4-ynoyl)-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-(2-methoxyethyl)-7-(pent-4-ynoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(2-methoxyethyl)-7-(pent-4-ynoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | T003-0181 |
| Compound Name: | 2-(2-methoxyethyl)-7-(pent-4-ynoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 292.34 |
| Molecular Formula: | C14 H20 N4 O3 |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)C(CCC#C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1091 |
| logD: | -0.1091 |
| logSw: | 0.0546 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.308 |
| InChI Key: | BZOQZJDJXUELKB-UHFFFAOYSA-N |