6,8,8,9-tetramethyl-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one
Chemical Structure Depiction of
6,8,8,9-tetramethyl-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one
6,8,8,9-tetramethyl-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one
Compound characteristics
| Compound ID: | Y021-1073 |
| Compound Name: | 6,8,8,9-tetramethyl-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CC1CC(C)(C)N(C)c2cc3c(C=C(C(CSc4nncn4C)=O)C(=O)O3)cc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5749 |
| logD: | 2.5679 |
| logSw: | -2.9786 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.44 |
| InChI Key: | WRHMBSQPBOCCIL-LBPRGKRZSA-N |