3-(4-nitrophenyl)-2-[(propan-2-yl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(4-nitrophenyl)-2-[(propan-2-yl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-nitrophenyl)-2-[(propan-2-yl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1316 |
| Compound Name: | 3-(4-nitrophenyl)-2-[(propan-2-yl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C19 H16 N4 O3 S |
| Smiles: | CC(C)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9509 |
| logD: | 3.9509 |
| logSw: | -4.1696 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.771 |
| InChI Key: | CEMWSMGQCYSCJT-UHFFFAOYSA-N |