N-[(4-methoxyphenyl)methyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
N-[(4-methoxyphenyl)methyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
Compound characteristics
| Compound ID: | K284-5175 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | COc1ccc(CNC(CCCCCN2C(c3cc4c(cc3NC2=S)OCO4)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2339 |
| logD: | 3.212 |
| logSw: | -3.5717 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.427 |
| InChI Key: | UBOSVDMVCAAOSE-UHFFFAOYSA-N |