N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
Compound characteristics
| Compound ID: | K284-5261 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | C1CCC(CCNC(CCCN2C(c3cc4c(cc3NC2=S)OCO4)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.3866 |
| logD: | 2.3647 |
| logSw: | -2.987 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.917 |
| InChI Key: | OVIMMXGLZUCBAQ-UHFFFAOYSA-N |