2-{[(4-methylphenyl)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-methylphenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(4-methylphenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0245 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C21 H19 N3 O S |
| Smiles: | Cc1ccc(CSC2=Nc3c4ccccc4[nH]c3C(N2CC=C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2203 |
| logD: | 4.2203 |
| logSw: | -4.2457 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.979 |
| InChI Key: | GGOQKYZNNFRDST-UHFFFAOYSA-N |