(2RS)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
Chemical Structure Depiction of
(2RS)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
(2RS)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
Compound characteristics
| Compound ID: | Y043-6114 |
| Compound Name: | (2RS)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | CSCC[C@@H](C(NCC1COc2ccccc2O1)=O)N1C(c2ccccc2NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0046 |
| logD: | 3.0044 |
| logSw: | -3.6523 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.77 |
| InChI Key: | ANHVNSLKAUFNHC-JRZJBTRGSA-N |