3-{[2-(5-chloro-1H-indol-3-yl)ethyl][(1-methyl-1H-pyrrol-2-yl)methyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{[2-(5-chloro-1H-indol-3-yl)ethyl][(1-methyl-1H-pyrrol-2-yl)methyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{[2-(5-chloro-1H-indol-3-yl)ethyl][(1-methyl-1H-pyrrol-2-yl)methyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8423 |
| Compound Name: | 3-{[2-(5-chloro-1H-indol-3-yl)ethyl][(1-methyl-1H-pyrrol-2-yl)methyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 439.9 |
| Molecular Formula: | C22 H22 Cl N5 O3 |
| Smiles: | Cn1cccc1CN(CCc1c[nH]c2ccc(cc12)[Cl])C(c1c(cn(C)n1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9441 |
| logD: | -0.6306 |
| logSw: | -3.4194 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.688 |
| InChI Key: | JROGPKCYMQFOTE-UHFFFAOYSA-N |