ethyl 8-[({4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
Chemical Structure Depiction of
ethyl 8-[({4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
ethyl 8-[({4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | K284-1532 |
| Compound Name: | ethyl 8-[({4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate |
| Molecular Weight: | 523.61 |
| Molecular Formula: | C27 H29 N3 O6 S |
| Smiles: | CCOC(c1cc2COCOc2c(CSC2=Nc3ccccc3C(N2CCCN2CCCC2=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0384 |
| logD: | 3.0384 |
| logSw: | -3.5158 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.904 |
| InChI Key: | PENGIRZPEDYAAW-UHFFFAOYSA-N |