methyl 4-{[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]amino}-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-{[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]amino}-3-nitrobenzoate
methyl 4-{[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]amino}-3-nitrobenzoate
Compound characteristics
| Compound ID: | K784-2035 |
| Compound Name: | methyl 4-{[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]amino}-3-nitrobenzoate |
| Molecular Weight: | 369.38 |
| Molecular Formula: | C19 H19 N3 O5 |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)NCCC(N1CCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3041 |
| logD: | 3.3041 |
| logSw: | -3.6814 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.294 |
| InChI Key: | SWXSHTJWTGZFBR-UHFFFAOYSA-N |