6-({[3-(3-bromophenyl)-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-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-({[3-(3-bromophenyl)-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: | L541-0487 |
| Compound Name: | 6-({[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 499.34 |
| Molecular Formula: | C21 H15 Br N4 O4 S |
| Smiles: | C1CC1N1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2cccc(c2)[Br])no1 |
| Stereo: | ACHIRAL |
| logP: | 5.6336 |
| logD: | 5.6336 |
| logSw: | -5.8851 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.782 |
| InChI Key: | KUSQQWLCKRGTPQ-UHFFFAOYSA-N |