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 |