7-(2-chloropropanoyl)-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-(2-chloropropanoyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2-chloropropanoyl)-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: | T003-0179 |
| Compound Name: | 7-(2-chloropropanoyl)-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: | 302.76 |
| Molecular Formula: | C12 H19 Cl N4 O3 |
| Smiles: | CC(C(N1CCC2=NN(CCOC)C(N2CC1)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3508 |
| logD: | 0.3508 |
| logSw: | -0.636 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.836 |
| InChI Key: | UZKPVXKTAOUWEW-VIFPVBQESA-N |