methyl 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate
methyl 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate
Compound characteristics
| Compound ID: | 8012-5945 |
| Compound Name: | methyl 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate |
| Molecular Weight: | 401.5 |
| Molecular Formula: | C26 H27 N O3 |
| Smiles: | Cc1c(C(=O)OC)c2cc(c3ccccc3c2n1Cc1ccc(cc1)C(C)(C)C)O |
| Stereo: | ACHIRAL |
| logP: | 6.2253 |
| logD: | 6.221 |
| logSw: | -5.4171 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.665 |
| InChI Key: | KPSSTTVIDKBBRU-UHFFFAOYSA-N |