8-chloro-3-[2-(4-chlorophenyl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-chloro-3-[2-(4-chlorophenyl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
8-chloro-3-[2-(4-chlorophenyl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0383 |
| Compound Name: | 8-chloro-3-[2-(4-chlorophenyl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 358.22 |
| Molecular Formula: | C18 H13 Cl2 N3 O |
| Smiles: | C(CN1C=Nc2c3cc(ccc3[nH]c2C1=O)[Cl])c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1096 |
| logD: | 4.1096 |
| logSw: | -4.4723 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.276 |
| InChI Key: | YTXUBYACSRVGAO-UHFFFAOYSA-N |