3-[(4-chlorophenyl)methyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[(4-chlorophenyl)methyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0207 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 339.78 |
| Molecular Formula: | C18 H14 Cl N3 O2 |
| Smiles: | COc1ccc2c3c(C(N(Cc4ccc(cc4)[Cl])C=N3)=O)[nH]c2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2165 |
| logD: | 3.2165 |
| logSw: | -3.7128 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.841 |
| InChI Key: | LFEDQXFCDLDIOA-UHFFFAOYSA-N |