N-[(4-methoxyphenyl)methyl]-4-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
N-[(4-methoxyphenyl)methyl]-4-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-5610 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
| Molecular Weight: | 556.64 |
| Molecular Formula: | C27 H32 N4 O7 S |
| Smiles: | COCCCNC(CSC1=Nc2cc3c(cc2C(N1CCCC(NCc1ccc(cc1)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8197 |
| logD: | 1.8197 |
| logSw: | -2.6754 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.807 |
| InChI Key: | BEIYLQNUMAEAIK-UHFFFAOYSA-N |