propan-2-yl 4,4,4-trifluoro-2-{1-hydroxy-4-[(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonyl)amino]naphthalen-2-yl}-3-oxobutanoate
Chemical Structure Depiction of
propan-2-yl 4,4,4-trifluoro-2-{1-hydroxy-4-[(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonyl)amino]naphthalen-2-yl}-3-oxobutanoate
propan-2-yl 4,4,4-trifluoro-2-{1-hydroxy-4-[(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonyl)amino]naphthalen-2-yl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 4456-3657 |
| Compound Name: | propan-2-yl 4,4,4-trifluoro-2-{1-hydroxy-4-[(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonyl)amino]naphthalen-2-yl}-3-oxobutanoate |
| Molecular Weight: | 586.54 |
| Molecular Formula: | C28 H21 F3 N2 O7 S |
| Smiles: | CC(C)OC(C(C(C(F)(F)F)=O)c1cc(c2ccccc2c1O)NS(c1ccc2c3c(cccc13)C(N2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1677 |
| logD: | 4.958 |
| logSw: | -5.0431 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.541 |
| InChI Key: | CSUAHYLSKRZQCU-QHCPKHFHSA-N |