1-{4-[(6-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidin-4-yl)oxy]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(6-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidin-4-yl)oxy]phenyl}ethan-1-one
1-{4-[(6-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidin-4-yl)oxy]phenyl}ethan-1-one
Compound characteristics
Compound ID: | V004-6382 |
Compound Name: | 1-{4-[(6-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidin-4-yl)oxy]phenyl}ethan-1-one |
Molecular Weight: | 395.44 |
Molecular Formula: | C20 H17 N3 O4 S |
Salt: | not_available |
Smiles: | CC(c1ccc(cc1)Oc1cc(C)nc(n1)SCc1cccc(c1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1958 |
logD: | 4.1958 |
logSw: | -4.4551 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 70.923 |
InChI Key: | PYGVNYCZYPJNAH-UHFFFAOYSA-N |