2-(butylsulfanyl)-3-(4-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-(butylsulfanyl)-3-(4-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-(butylsulfanyl)-3-(4-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1062 |
| Compound Name: | 2-(butylsulfanyl)-3-(4-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | CCCCSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.673 |
| logD: | 4.673 |
| logSw: | -4.4199 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.933 |
| InChI Key: | HREKJCQDXFUCRA-UHFFFAOYSA-N |