2-(butylsulfanyl)-3-(3,5-dimethylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-(butylsulfanyl)-3-(3,5-dimethylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-(butylsulfanyl)-3-(3,5-dimethylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0968 |
| Compound Name: | 2-(butylsulfanyl)-3-(3,5-dimethylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 377.51 |
| Molecular Formula: | C22 H23 N3 O S |
| Smiles: | CCCCSC1=Nc2c3ccccc3[nH]c2C(N1c1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7259 |
| logD: | 5.7259 |
| logSw: | -5.5443 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.389 |
| InChI Key: | ZTMPWBHIAWPLKM-UHFFFAOYSA-N |