2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | D692-0587 |
| Compound Name: | 2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C24 H19 N5 O3 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1nnc2c3ccccc3nc(c3ccco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0575 |
| logD: | 4.0575 |
| logSw: | -4.1038 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.897 |
| InChI Key: | YBAHMBWONBSWKW-UHFFFAOYSA-N |