2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
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-(2,4,6-trimethylphenyl)acetamide
2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G864-0203 |
| Compound Name: | 2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C24 H24 N4 O2 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9857 |
| logD: | 3.9857 |
| logSw: | -4.1833 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.733 |
| InChI Key: | ZXUKTWPHMMTBHS-UHFFFAOYSA-N |