3-(4-chlorophenyl)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(4-chlorophenyl)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | Y020-2376 |
| Compound Name: | 3-(4-chlorophenyl)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 341.75 |
| Molecular Formula: | C17 H12 Cl N3 O3 |
| Smiles: | COc1cccc2c1c1c(C(N(C(N1)=O)c1ccc(cc1)[Cl])=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.9457 |
| logD: | 2.917 |
| logSw: | -3.5452 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.457 |
| InChI Key: | NIUSZEXNNRSNPT-UHFFFAOYSA-N |