2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-propylacetamide
Chemical Structure Depiction of
2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-propylacetamide
2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-propylacetamide
Compound characteristics
| Compound ID: | G864-0175 |
| Compound Name: | 2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-propylacetamide |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C18 H20 N4 O2 S |
| Smiles: | CCCNC(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2207 |
| logD: | 2.2207 |
| logSw: | -2.5818 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.564 |
| InChI Key: | LDWVHKIKIWNTOJ-UHFFFAOYSA-N |