N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-5657 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
| Molecular Weight: | 602.67 |
| Molecular Formula: | C31 H30 N4 O7 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9916 |
| logD: | 2.9916 |
| logSw: | -3.5772 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.765 |
| InChI Key: | PQCGYPBLHMUQBH-UHFFFAOYSA-N |