2-{[(4-bromophenyl)methyl]sulfanyl}-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(4-bromophenyl)methyl]sulfanyl}-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0873 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 462.37 |
| Molecular Formula: | C23 H16 Br N3 O S |
| Smiles: | C(c1ccc(cc1)[Br])SC1=Nc2c3ccccc3[nH]c2C(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0848 |
| logD: | 5.0848 |
| logSw: | -5.4247 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.118 |
| InChI Key: | GDYMRUNTZUPINW-UHFFFAOYSA-N |