1-benzyl-5-bromo-3-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-8(1H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-benzyl-5-bromo-3-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-8(1H)-one--hydrogen chloride (1/1)
1-benzyl-5-bromo-3-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-8(1H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D090-0070 |
| Compound Name: | 1-benzyl-5-bromo-3-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-8(1H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 445.79 |
| Molecular Formula: | C22 H21 Br N2 O |
| Salt: | HCl |
| Smiles: | Cc1c(CN(C)C)c2c3cc(ccc3C(c2n1Cc1ccccc1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8058 |
| logD: | 2.5389 |
| logSw: | -4.7879 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 18.6256 |
| InChI Key: | DGDOAYXAWGZZMH-UHFFFAOYSA-N |