N-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
Compound characteristics
| Compound ID: | K284-5180 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C25 H29 N3 O6 S |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(c3cc4c(cc3NC2=S)OCO4)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5433 |
| logD: | 2.5214 |
| logSw: | -3.1261 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.986 |
| InChI Key: | CRHSEHPSLPHNIQ-UHFFFAOYSA-N |