4-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)butan-1-one
Chemical Structure Depiction of
4-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)butan-1-one
4-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)butan-1-one
Compound characteristics
| Compound ID: | Y042-2007 |
| Compound Name: | 4-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)butan-1-one |
| Molecular Weight: | 335.45 |
| Molecular Formula: | C21 H25 N3 O |
| Smiles: | Cc1ccc(C)n1CCCC(N1CCc2c3ccccc3[nH]c2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2529 |
| logD: | 2.2529 |
| logSw: | -2.7102 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.2667 |
| InChI Key: | CFHZFCBATVBCJC-UHFFFAOYSA-N |