ethyl 4-[2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K284-1947 |
| Compound Name: | ethyl 4-[2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 517.56 |
| Molecular Formula: | C27 H23 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6381 |
| logD: | 4.6381 |
| logSw: | -4.3551 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.789 |
| InChI Key: | VRSTUKXNFLZWII-UHFFFAOYSA-N |