4-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
4-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0677 |
| Compound Name: | 4-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 546 |
| Molecular Formula: | C19 H30 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)OCCCN(CCS(N1CCNCC1)(=O)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0738 |
| logD: | 0.7291 |
| logSw: | -2.8106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.445 |
| InChI Key: | DAWMVNNFFCIKJC-UHFFFAOYSA-N |