2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 6364-0112 |
| Compound Name: | 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C31 H30 N2 O2 |
| Smiles: | Cc1ccc(c(c1)N)n1c(cc(C2=C(CC(C)(C)CC2=O)O)c1c1ccccc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1481 |
| logD: | 5.9413 |
| logSw: | -5.4023 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 48.56 |
| InChI Key: | YRCTURDKBLADHB-UHFFFAOYSA-N |