5-[(4-acetylbenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0931 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 612.62 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(c1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N(C)CCCc1c(C)nn(C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5046 |
| logD: | 0.389 |
| logSw: | -2.9226 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.594 |
| InChI Key: | MMVVEBFVKVIPBQ-UHFFFAOYSA-N |