5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-[(cyclopropanecarbonyl)amino]benzoic acid
Chemical Structure Depiction of
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-[(cyclopropanecarbonyl)amino]benzoic acid
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-[(cyclopropanecarbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F687-0872 |
| Compound Name: | 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-[(cyclopropanecarbonyl)amino]benzoic acid |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C23 H32 N4 O4 |
| Smiles: | C1CCCN(CC1)C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(C1CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1819 |
| logD: | -1.5212 |
| logSw: | -2.9525 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.28 |
| InChI Key: | GYSMWTOKUBWUDV-UHFFFAOYSA-N |