2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1131 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C24 H23 F N4 O2 S |
| Smiles: | C1CCCN(CC1)C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8358 |
| logD: | 3.8358 |
| logSw: | -4.0547 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.841 |
| InChI Key: | DKRCFLBOPVMQLV-UHFFFAOYSA-N |