methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-(pyrrolidin-1-yl)-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-(pyrrolidin-1-yl)-3,4-dihydroquinazoline-7-carboxylate
methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-(pyrrolidin-1-yl)-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | M124-0637 |
| Compound Name: | methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-(pyrrolidin-1-yl)-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C21 H19 N3 O5 |
| Smiles: | COC(c1ccc2C(N(C(=Nc2c1)N1CCCC1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9251 |
| logD: | 2.9251 |
| logSw: | -3.3574 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.866 |
| InChI Key: | SJMIAQGRNJZFCT-UHFFFAOYSA-N |