2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(propane-1-sulfonyl)-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-(propane-1-sulfonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(propane-1-sulfonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-5156 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(propane-1-sulfonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CCCS(N1CCC2=C(CC1)N=C(NC2=O)N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.054 |
| logD: | 2.0503 |
| logSw: | -2.6919 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.605 |
| InChI Key: | ZYVFMIZVNLQZLE-UHFFFAOYSA-N |