2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1301 |
| Compound Name: | 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 497.53 |
| Molecular Formula: | C26 H19 N5 O4 S |
| Smiles: | C1CN(C(CSC2=Nc3c4ccccc4[nH]c3C(N2c2ccc(cc2)[N+]([O-])=O)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0727 |
| logD: | 4.0727 |
| logSw: | -4.3154 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.922 |
| InChI Key: | GWUMSSNGQOJCNV-UHFFFAOYSA-N |