N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide
Compound characteristics
| Compound ID: | F145-0641 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | CC(C)(C)C1CCc2c3C(NC(CCC(NCc4ccc5c(c4)OCO5)=O)=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3762 |
| logD: | 4.3756 |
| logSw: | -4.5204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.31 |
| InChI Key: | DMJIRDWIVYHWDX-OAHLLOKOSA-N |