6-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | L541-0493 |
| Compound Name: | 6-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 454.89 |
| Molecular Formula: | C21 H15 Cl N4 O4 S |
| Smiles: | C1CC1N1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 5.3812 |
| logD: | 5.3812 |
| logSw: | -6.0165 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.782 |
| InChI Key: | NRJHQCARKYNXMR-UHFFFAOYSA-N |