N-[3-(2-methylpropyl)-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-[3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-6-yl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
N-[3-(2-methylpropyl)-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: | Y043-3776 |
| Compound Name: | N-[3-(2-methylpropyl)-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: | 443.57 |
| Molecular Formula: | C22 H29 N5 O3 S |
| Smiles: | CC(C)CN1C=Nc2ccc(cc2C1=O)NC(CCCC[C@H]1[C@@H]2[C@H](CS1)NC(N2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.205 |
| logD: | 2.2049 |
| logSw: | -3.1317 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.151 |
| InChI Key: | ZVWNORROGGUXBB-NSHGMRRFSA-N |