N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}pentanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}pentanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}pentanamide
Compound characteristics
| Compound ID: | C260-1020 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}pentanamide |
| Molecular Weight: | 542.59 |
| Molecular Formula: | C30 H30 N4 O6 |
| Smiles: | Cc1ccc(cc1)NC(CN1C(N(CCCCC(NCc2ccc3c(c2)OCO3)=O)C(c2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5151 |
| logD: | 3.5151 |
| logSw: | -3.8069 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.981 |
| InChI Key: | MVXYEICENBRHMZ-UHFFFAOYSA-N |