N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
Compound characteristics
| Compound ID: | V001-4016 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C26 H28 N2 O3 |
| Smiles: | Cc1cccc(Cn2c3CCCCc3c(C)c2C(NCc2ccc3c(c2)OCO3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6827 |
| logD: | 5.6827 |
| logSw: | -5.3069 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.399 |
| InChI Key: | QBWIJTOYTHZBKJ-UHFFFAOYSA-N |