7-benzyl-2-(3,4-dihydroisoquinolin-2(1H)-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-benzyl-2-(3,4-dihydroisoquinolin-2(1H)-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-benzyl-2-(3,4-dihydroisoquinolin-2(1H)-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-5353 |
| Compound Name: | 7-benzyl-2-(3,4-dihydroisoquinolin-2(1H)-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 386.5 |
| Molecular Formula: | C24 H26 N4 O |
| Smiles: | C1CN(CCC2=C1C(NC(=N2)N1CCc2ccccc2C1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3241 |
| logD: | 2.8218 |
| logSw: | -3.3375 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.461 |
| InChI Key: | PJYIIQSCCWEXTQ-UHFFFAOYSA-N |