2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F145-0563 |
| Compound Name: | 2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C23 H25 N3 O2 S |
| Smiles: | C1CCc2c3C(NC(CCC(N4CCc5ccccc5C4)=O)=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9522 |
| logD: | 3.9516 |
| logSw: | -4.2936 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.109 |
| InChI Key: | ZYKNWBQZIKZBIG-UHFFFAOYSA-N |