heptyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Chemical Structure Depiction of
heptyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
heptyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Compound characteristics
| Compound ID: | C276-0150 |
| Compound Name: | heptyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate |
| Molecular Weight: | 373.51 |
| Molecular Formula: | C21 H27 N O3 S |
| Smiles: | CCCCCCCOC(c1c(C)c2C(CC(Cc2[nH]1)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5802 |
| logD: | 5.5802 |
| logSw: | -5.3263 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.107 |
| InChI Key: | KUYXULCVBXDVHA-HNNXBMFYSA-N |