6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)-N-{3-[(propan-2-yl)oxy]propyl}hexanamide
Chemical Structure Depiction of
6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)-N-{3-[(propan-2-yl)oxy]propyl}hexanamide
6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)-N-{3-[(propan-2-yl)oxy]propyl}hexanamide
Compound characteristics
| Compound ID: | K284-5139 |
| Compound Name: | 6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)-N-{3-[(propan-2-yl)oxy]propyl}hexanamide |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CC(C)OCCCNC(CCCCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.259 |
| logD: | 2.2371 |
| logSw: | -3.0058 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.197 |
| InChI Key: | ORBJUMKQQUUBEE-UHFFFAOYSA-N |