methyl 6-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C849-0618 |
| Compound Name: | methyl 6-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C23 H21 N3 O6 |
| Smiles: | COC(c1cc2c(cc1NC(c1ccc3C(N4CCCCCC4=Nc3c1)=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6926 |
| logD: | 1.018 |
| logSw: | -3.3022 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.402 |
| InChI Key: | GCSNWIMNJZOGHT-UHFFFAOYSA-N |