3-[(2-chlorophenyl)methyl]-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[(2-chlorophenyl)methyl]-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0145 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 339.78 |
| Molecular Formula: | C18 H14 Cl N3 O2 |
| Smiles: | COc1ccc2c(c1)c1c(C(N(Cc3ccccc3[Cl])C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.2124 |
| logD: | 3.2124 |
| logSw: | -3.4204 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.841 |
| InChI Key: | RUZIPEUCFUFYOJ-UHFFFAOYSA-N |