2-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0263 |
| Compound Name: | 2-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 335.45 |
| Molecular Formula: | C18 H29 N3 O3 |
| Smiles: | Cc1cn(C)c(CC(NCCCN2CCCCCC2)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2062 |
| logD: | 1.2062 |
| logSw: | -1.5709 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.568 |
| InChI Key: | LEUFOPIIQXTQLB-UHFFFAOYSA-N |