N-cyclopentyl-4-(piperazin-1-yl)-3-[(4-propanamidobenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-cyclopentyl-4-(piperazin-1-yl)-3-[(4-propanamidobenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-cyclopentyl-4-(piperazin-1-yl)-3-[(4-propanamidobenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-1065 |
| Compound Name: | N-cyclopentyl-4-(piperazin-1-yl)-3-[(4-propanamidobenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.66 |
| Molecular Formula: | C25 H33 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCC(Nc1ccc(cc1)S(Nc1cc(ccc1N1CCNCC1)C(NC1CCCC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5081 |
| logD: | 2.5081 |
| logSw: | -3.1211 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.956 |
| InChI Key: | MYUHELYRMBVLJC-UHFFFAOYSA-N |