1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethan-1-one
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | J084-0255 |
| Compound Name: | 1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C26 H21 N5 O2 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.003 |
| logD: | 4.9976 |
| logSw: | -4.9066 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.319 |
| InChI Key: | BFQVLONWADXOJR-UHFFFAOYSA-N |