methyl 3-(2,3-dihydro-1H-indole-1-carbonyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(2,3-dihydro-1H-indole-1-carbonyl)-5-nitrobenzoate
methyl 3-(2,3-dihydro-1H-indole-1-carbonyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0072 |
| Compound Name: | methyl 3-(2,3-dihydro-1H-indole-1-carbonyl)-5-nitrobenzoate |
| Molecular Weight: | 326.31 |
| Molecular Formula: | C17 H14 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N1CCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0975 |
| logD: | 3.0975 |
| logSw: | -3.4907 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.473 |
| InChI Key: | AFOMMKFRRGKKRA-UHFFFAOYSA-N |