3-[(2-chlorophenyl)methyl]-8-fluoro-5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-8-fluoro-5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[(2-chlorophenyl)methyl]-8-fluoro-5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F394-0373 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-8-fluoro-5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 466.94 |
| Molecular Formula: | C25 H24 Cl F N4 O2 |
| Smiles: | CC1CCCCN1C(Cn1c2C(N(Cc3ccccc3[Cl])C=Nc2c2cc(ccc12)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2484 |
| logD: | 4.2484 |
| logSw: | -4.3243 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.606 |
| InChI Key: | AFSMCERSGGJINQ-INIZCTEOSA-N |