3,3-dimethyl-5-oxo-5-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)amino]pentanoic acid
Chemical Structure Depiction of
3,3-dimethyl-5-oxo-5-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)amino]pentanoic acid
3,3-dimethyl-5-oxo-5-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)amino]pentanoic acid
Compound characteristics
| Compound ID: | C200-2816 |
| Compound Name: | 3,3-dimethyl-5-oxo-5-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)amino]pentanoic acid |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C15 H17 N3 O4 S |
| Smiles: | CC(C)(CC(O)=O)CC(NN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8635 |
| logD: | -1.6723 |
| logSw: | -2.3728 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.161 |
| InChI Key: | VJIQJNGZQKULQA-UHFFFAOYSA-N |