3-[2-(4-chlorophenyl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(4-chlorophenyl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0086 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 337.81 |
| Molecular Formula: | C19 H16 Cl N3 O |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CCc3ccc(cc3)[Cl])C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.8873 |
| logD: | 3.8873 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.276 |
| InChI Key: | JXJDTMGFUUPSTH-UHFFFAOYSA-N |