2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
Compound ID: | M143-0675 |
Compound Name: | 2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
Molecular Weight: | 459.53 |
Molecular Formula: | C24 H21 N5 O3 S |
Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1c2cnc(c3ccc(cc3)OC)nc2ncn1)=O |
Stereo: | ACHIRAL |
logP: | 4.268 |
logD: | 4.268 |
logSw: | -4.2313 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 70.323 |
InChI Key: | CLPYQUMBHXQMCT-UHFFFAOYSA-N |