2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1126 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C25 H20 Cl N3 O2 S |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3361 |
| logD: | 5.3361 |
| logSw: | -5.9003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.241 |
| InChI Key: | QNGKNRVEHNOCNM-UHFFFAOYSA-N |