ethyl 4-{4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoyl}piperazine-1-carboxylate--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
ethyl 4-{4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoyl}piperazine-1-carboxylate--trifluoroacetic acid (1/1)
ethyl 4-{4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoyl}piperazine-1-carboxylate--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0277 |
| Compound Name: | ethyl 4-{4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoyl}piperazine-1-carboxylate--trifluoroacetic acid (1/1) |
| Molecular Weight: | 621.65 |
| Molecular Formula: | C22 H29 N5 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(c(c1)NS(c1cccs1)(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5536 |
| logD: | 1.5536 |
| logSw: | -2.5704 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.749 |
| InChI Key: | HLGSNDUBDVPXBF-UHFFFAOYSA-N |