N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | K284-5843 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide |
| Molecular Weight: | 607.64 |
| Molecular Formula: | C33 H25 N3 O7 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(c2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1652 |
| logD: | 5.1652 |
| logSw: | -5.3263 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.662 |
| InChI Key: | ZADZMAVLJDVEOS-UHFFFAOYSA-N |