N-(3-methoxypropyl)-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)acetamide
Chemical Structure Depiction of
N-(3-methoxypropyl)-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)acetamide
N-(3-methoxypropyl)-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)acetamide
Compound characteristics
| Compound ID: | K284-5567 |
| Compound Name: | N-(3-methoxypropyl)-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)acetamide |
| Molecular Weight: | 567.66 |
| Molecular Formula: | C28 H33 N5 O6 S |
| Smiles: | COCCCNC(CSC1=Nc2cc3c(cc2C(N1CCC(N1CCN(CC1)c1ccccc1)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1718 |
| logD: | 2.1718 |
| logSw: | -3.1384 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.445 |
| InChI Key: | CVCXKDGQVHVDPL-UHFFFAOYSA-N |