3-(3,5-dimethylphenyl)-2-(ethylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-(ethylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(3,5-dimethylphenyl)-2-(ethylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0965 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-(ethylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C20 H19 N3 O S |
| Smiles: | CCSC1=Nc2c3ccccc3[nH]c2C(N1c1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6709 |
| logD: | 4.6709 |
| logSw: | -4.4255 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.389 |
| InChI Key: | TXAQOBYTCHXFNG-UHFFFAOYSA-N |