3-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1351 |
| Compound Name: | 3-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C19 H16 N4 O3 S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5367 |
| logD: | 3.5367 |
| logSw: | -3.8377 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.107 |
| InChI Key: | SKOYPWRXQQAZCD-UHFFFAOYSA-N |