(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)butanamide
Chemical Structure Depiction of
(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)butanamide
(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)butanamide
Compound characteristics
| Compound ID: | Y043-6127 |
| Compound Name: | (2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)butanamide |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | CSCC[C@@H](C(Nc1ccc2c(c1)OCC(N2)=O)=O)N1C(c2ccccc2NC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1045 |
| logD: | 2.1043 |
| logSw: | -3.1487 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.039 |
| InChI Key: | PBUASOKKFVEQOU-INIZCTEOSA-N |