2-(cyclopropylmethyl)-7-[1-(2-phenylethyl)piperidin-4-yl]-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-[1-(2-phenylethyl)piperidin-4-yl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[1-(2-phenylethyl)piperidin-4-yl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1925 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[1-(2-phenylethyl)piperidin-4-yl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 395.55 |
| Molecular Formula: | C23 H33 N5 O |
| Smiles: | C1CN(CCC1N1CCC2=NN(CC3CC3)C(N2CC1)=O)CCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2279 |
| logD: | 1.5269 |
| logSw: | -3.1931 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.651 |
| InChI Key: | PRDFGTLXGVVJJO-UHFFFAOYSA-N |