[2,6,6-trimethyl-1-(2-methyl-5-nitrophenyl)-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl]acetic acid
Chemical Structure Depiction of
[2,6,6-trimethyl-1-(2-methyl-5-nitrophenyl)-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl]acetic acid
[2,6,6-trimethyl-1-(2-methyl-5-nitrophenyl)-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl]acetic acid
Compound characteristics
| Compound ID: | 8012-0489 |
| Compound Name: | [2,6,6-trimethyl-1-(2-methyl-5-nitrophenyl)-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl]acetic acid |
| Molecular Weight: | 370.4 |
| Molecular Formula: | C20 H22 N2 O5 |
| Smiles: | Cc1ccc(cc1n1c(C)c(CC(O)=O)c2C(CC(C)(C)Cc12)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4866 |
| logD: | -0.0538 |
| logSw: | -4.09 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.297 |
| InChI Key: | BORUWOSEQVOSMB-UHFFFAOYSA-N |