N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | E140-1243 |
Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide |
Molecular Weight: | 494.57 |
Molecular Formula: | C25 H26 N4 O5 S |
Smiles: | COc1cccc(CN2CCC3=C(C2)C(NC(=N3)SCC(Nc2ccc3c(c2)OCCO3)=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 1.5611 |
logD: | 1.0117 |
logSw: | -2.537 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.462 |
InChI Key: | RCZMILFGXLNPIZ-UHFFFAOYSA-N |