2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0789 |
| Compound Name: | 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C20 H19 N3 O S |
| Smiles: | Cc1ccc(C)c(CSC2=Nc3c4ccccc4[nH]c3C(N2C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5663 |
| logD: | 4.5663 |
| logSw: | -4.3784 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.766 |
| InChI Key: | TXLCGEVFVRFTCC-UHFFFAOYSA-N |