methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0251 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C24 H24 N2 O6 S |
| Smiles: | CC(C)(C)C(CSC1=Nc2cc(ccc2C(N1Cc1ccc2c(c1)OCO2)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4565 |
| logD: | 4.4565 |
| logSw: | -4.388 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.579 |
| InChI Key: | VSGKJKWPKDDCCO-UHFFFAOYSA-N |