N-[2-(2,4-dipropoxyphenyl)-6-iodo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-(2,4-dipropoxyphenyl)-6-iodo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-(2,4-dipropoxyphenyl)-6-iodo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-5661 |
| Compound Name: | N-[2-(2,4-dipropoxyphenyl)-6-iodo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 629.45 |
| Molecular Formula: | C28 H28 I N3 O6 |
| Smiles: | CCCOc1ccc(C2Nc3ccc(cc3C(N2NC(c2ccc3c(c2)OCO3)=O)=O)I)c(c1)OCCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0417 |
| logD: | 6.6477 |
| logSw: | -5.6955 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.782 |
| InChI Key: | AQCTYLZSKWMQOW-AREMUKBSSA-N |