2-(2-methoxyethyl)-7-(2-methylprop-2-enoyl)-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-(2-methylprop-2-enoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(2-methoxyethyl)-7-(2-methylprop-2-enoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | T003-0178 |
| Compound Name: | 2-(2-methoxyethyl)-7-(2-methylprop-2-enoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 280.32 |
| Molecular Formula: | C13 H20 N4 O3 |
| Smiles: | CC(=C)C(N1CCC2=NN(CCOC)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4794 |
| logD: | 0.4794 |
| logSw: | -0.3862 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.836 |
| InChI Key: | LVCPPTAPOQZSKQ-UHFFFAOYSA-N |