2-{2-[({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-{2-[({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-{2-[({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0232 |
| Compound Name: | 2-{2-[({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C21 H29 N3 O4 |
| Smiles: | Cc1cn(C)c(CC(NCc2ccc(CN3CCCCCC3)o2)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4907 |
| logD: | 2.4907 |
| logSw: | -2.4322 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.489 |
| InChI Key: | BMBGJKIFELJLLJ-UHFFFAOYSA-N |