2-[(4-bromophenyl)sulfanyl]-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Chemical Structure Depiction of
2-[(4-bromophenyl)sulfanyl]-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
2-[(4-bromophenyl)sulfanyl]-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Compound characteristics
| Compound ID: | 8020-3790 |
| Compound Name: | 2-[(4-bromophenyl)sulfanyl]-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one |
| Molecular Weight: | 445.33 |
| Molecular Formula: | C20 H17 Br N2 O3 S |
| Smiles: | COc1cc2CCN3C(=CC(=NC3=O)Sc3ccc(cc3)[Br])c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0399 |
| logD: | 5.0399 |
| logSw: | -4.6825 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.099 |
| InChI Key: | XSNDCNBZFJRELV-UHFFFAOYSA-N |