3-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0015 |
| Compound Name: | 3-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.01 |
| Molecular Formula: | C20 H29 Cl N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CC(N(C1)CCCN(CCS(N1CCNCC1)(=O)=O)C(c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2029 |
| logD: | -0.5476 |
| logSw: | -2.7332 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.484 |
| InChI Key: | VKFBYOGFPBSSPH-UHFFFAOYSA-N |