N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K284-4631 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 618.71 |
| Molecular Formula: | C32 H34 N4 O7 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccccc2C(N1CCC(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4439 |
| logD: | 3.4439 |
| logSw: | -3.8286 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.801 |
| InChI Key: | JNZBIHWBVKSKSF-NDEPHWFRSA-N |