N-(2-methoxyphenyl)-2-({8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-2-({8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide
N-(2-methoxyphenyl)-2-({8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | K284-5580 |
| Compound Name: | N-(2-methoxyphenyl)-2-({8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide |
| Molecular Weight: | 629.74 |
| Molecular Formula: | C33 H35 N5 O6 S |
| Smiles: | CCC(C(Nc1ccccc1OC)=O)SC1=Nc2cc3c(cc2C(N1CCC(N1CCN(CC1)c1ccccc1)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0195 |
| logD: | 5.0194 |
| logSw: | -4.5175 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.813 |
| InChI Key: | HDMIALFMUUMAFF-LJAQVGFWSA-N |