3-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1360 |
| Compound Name: | 3-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | COCCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0576 |
| logD: | 3.0576 |
| logSw: | -3.3965 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.703 |
| InChI Key: | UVOYGTFVDLKPEJ-UHFFFAOYSA-N |