5-[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamido]-2-fluoro-N,N-dimethylbenzamide
Chemical Structure Depiction of
5-[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamido]-2-fluoro-N,N-dimethylbenzamide
5-[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamido]-2-fluoro-N,N-dimethylbenzamide
Compound characteristics
| Compound ID: | Y043-6141 |
| Compound Name: | 5-[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamido]-2-fluoro-N,N-dimethylbenzamide |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C22 H23 F N4 O4 S |
| Smiles: | CN(C)C(c1cc(ccc1F)NC([C@H](CCSC)N1C(c2ccccc2NC1=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2023 |
| logD: | 2.2021 |
| logSw: | -3.1263 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.769 |
| InChI Key: | CMRMLNYVHKELRM-SFHVURJKSA-N |