4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0690 |
| Compound Name: | 4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 596.6 |
| Molecular Formula: | C20 H26 N4 O6 S2 |
| Salt: | CF3COOH |
| Smiles: | COCCNC(CN1CCN(CC1)c1ccc(cc1NS(c1cccs1)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0083 |
| logD: | 0.0704 |
| logSw: | -2.7057 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.236 |
| InChI Key: | CEPOIPQHFFJYIY-UHFFFAOYSA-N |