methyl 2-(azepan-1-yl)-3-(2H-1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-(azepan-1-yl)-3-(2H-1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-(azepan-1-yl)-3-(2H-1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | M124-0643 |
| Compound Name: | methyl 2-(azepan-1-yl)-3-(2H-1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C23 H23 N3 O5 |
| Smiles: | COC(c1ccc2C(N(C(=Nc2c1)N1CCCCCC1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7234 |
| logD: | 3.7234 |
| logSw: | -3.9568 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.831 |
| InChI Key: | SZWKLNGCEPPWTR-UHFFFAOYSA-N |