4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
Compound ID: | 8017-0913 |
Compound Name: | 4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
Molecular Weight: | 481.96 |
Molecular Formula: | C23 H20 Cl N5 O3 S |
Smiles: | COc1cccc(C2C(C#N)=C(N)Oc3c2c(N)nc(n3)SCc2ccccc2[Cl])c1OC |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2428 |
logD: | 4.2427 |
logSw: | -4.4427 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 100.279 |
InChI Key: | OTHHXYPZDXGQAM-KRWDZBQOSA-N |