methyl 2-({2-[(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)amino]-2-oxoethyl}sulfanyl)benzoate
Chemical Structure Depiction of
methyl 2-({2-[(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)amino]-2-oxoethyl}sulfanyl)benzoate
methyl 2-({2-[(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)amino]-2-oxoethyl}sulfanyl)benzoate
Compound characteristics
Compound ID: | 8017-3975 |
Compound Name: | methyl 2-({2-[(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)amino]-2-oxoethyl}sulfanyl)benzoate |
Molecular Weight: | 385.4 |
Molecular Formula: | C18 H15 N3 O5 S |
Smiles: | COC(c1ccccc1SCC(Nc1cccc2C(NNC(c12)=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.2282 |
logD: | 1.2252 |
logSw: | -2.2369 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 98.051 |
InChI Key: | DDSWIFFVHQQVFS-UHFFFAOYSA-N |