2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(3-methylbutyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(3-methylbutyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(3-methylbutyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-2471 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(3-methylbutyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 366.51 |
| Molecular Formula: | C22 H30 N4 O |
| Smiles: | CC(C)CCN1CCC2=C(CC1)N=C(NC2=O)N1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.4894 |
| logD: | 2.0688 |
| logSw: | -3.4865 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.711 |
| InChI Key: | LDUOXONUNBFGLX-UHFFFAOYSA-N |