N-(butan-2-yl)-2-(piperazin-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(butan-2-yl)-2-(piperazin-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-(butan-2-yl)-2-(piperazin-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0367 |
| Compound Name: | N-(butan-2-yl)-2-(piperazin-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 584.66 |
| Molecular Formula: | C25 H34 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCC(C)NC(c1cc(ccc1N1CCNCC1)NS(c1ccc2CCCCc2c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7989 |
| logD: | 2.3234 |
| logSw: | -3.8924 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.047 |
| InChI Key: | QCQVPWINLNKGLJ-SFHVURJKSA-N |