2-{[(4-bromophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0256 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 426.33 |
| Molecular Formula: | C20 H16 Br N3 O S |
| Smiles: | C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6308 |
| logD: | 4.6308 |
| logSw: | -4.6113 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.979 |
| InChI Key: | XBRRWPXJQPVKAB-UHFFFAOYSA-N |