3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0377 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | C1CCN(C1)C(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9909 |
| logD: | 2.9907 |
| logSw: | -3.4187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.448 |
| InChI Key: | MSTDJRPGKBNOHF-UHFFFAOYSA-N |