2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1380 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C20 H16 N4 O3 S |
| Smiles: | C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9367 |
| logD: | 3.9367 |
| logSw: | -4.3475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.361 |
| InChI Key: | MIRODLYAGFNCBU-UHFFFAOYSA-N |