N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
Compound characteristics
| Compound ID: | K284-5339 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | C1CCC(CCNC(CCN2C(c3cc4c(cc3NC2=S)OCO4)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.6398 |
| logD: | 2.6129 |
| logSw: | -3.1815 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.917 |
| InChI Key: | QECXRSQJJUHHEA-UHFFFAOYSA-N |