3-benzyl-8-methoxy-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-benzyl-8-methoxy-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-benzyl-8-methoxy-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
Compound ID: | C200-2211 |
Compound Name: | 3-benzyl-8-methoxy-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
Molecular Weight: | 455.58 |
Molecular Formula: | C27 H25 N3 O2 S |
Smiles: | Cc1ccccc1CSC1=Nc2c3cc(ccc3n(C)c2C(N1Cc1ccccc1)=O)OC |
Stereo: | ACHIRAL |
logP: | 6.2255 |
logD: | 6.2255 |
logSw: | -5.5028 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 32.986 |
InChI Key: | WAFXDJKFLMGNGZ-UHFFFAOYSA-N |