N-(4-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)acetamide
Chemical Structure Depiction of
N-(4-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)acetamide
N-(4-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)acetamide
Compound characteristics
| Compound ID: | K284-5578 |
| Compound Name: | N-(4-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)acetamide |
| Molecular Weight: | 601.68 |
| Molecular Formula: | C31 H31 N5 O6 S |
| Smiles: | COc1ccc(cc1)NC(CSC1=Nc2cc3c(cc2C(N1CCC(N1CCN(CC1)c1ccccc1)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9394 |
| logD: | 3.9393 |
| logSw: | -4.0561 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.211 |
| InChI Key: | FUHOFQBRHHWDER-UHFFFAOYSA-N |