N-[2-(cyclohex-1-en-1-yl)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-(cyclohex-1-en-1-yl)ethyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
N-[2-(cyclohex-1-en-1-yl)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: | K284-5183 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide |
| Molecular Weight: | 443.56 |
| Molecular Formula: | C23 H29 N3 O4 S |
| Smiles: | C(CCC(NCCC1CCCCC=1)=O)CCN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3967 |
| logD: | 3.3748 |
| logSw: | -3.7297 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.917 |
| InChI Key: | KMAGTLCPPCMFBP-UHFFFAOYSA-N |