N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
Compound characteristics
| Compound ID: | F145-0512 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | C1CCc2c3C(NC(CCC(NCc4ccc5c(c4)OCO5)=O)=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3149 |
| logD: | 3.3143 |
| logSw: | -3.7352 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.641 |
| InChI Key: | QPCAJILOXXAINS-UHFFFAOYSA-N |