1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}propan-1-one
Chemical Structure Depiction of
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}propan-1-one
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}propan-1-one
Compound characteristics
| Compound ID: | J084-0744 |
| Compound Name: | 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}propan-1-one |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | CC(C(N1CCC2(CC1)OCCO2)=O)Sc1nnc2c3ccccc3nc(c3cccc(C)c3)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0713 |
| logD: | 4.0525 |
| logSw: | -4.1505 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.667 |
| InChI Key: | BWZSQBNWCVAFEU-SFHVURJKSA-N |