N-(4-oxo-3,4-dihydroquinazolin-6-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Chemical Structure Depiction of
N-(4-oxo-3,4-dihydroquinazolin-6-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
N-(4-oxo-3,4-dihydroquinazolin-6-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Compound characteristics
| Compound ID: | Y043-4141 |
| Compound Name: | N-(4-oxo-3,4-dihydroquinazolin-6-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C18 H21 N5 O3 S |
| Smiles: | C(CC[C@H]1[C@@H]2[C@H](CS1)NC(N2)=O)CC(Nc1ccc2c(c1)C(NC=N2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8104 |
| logD: | 0.804 |
| logSw: | -2.4801 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.475 |
| InChI Key: | YIDJYBDAAJWCEG-LZWOXQAQSA-N |