heptyl 2-methyl-5-[(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonyl)amino]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
heptyl 2-methyl-5-[(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonyl)amino]-1-benzofuran-3-carboxylate
heptyl 2-methyl-5-[(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonyl)amino]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-0431 |
| Compound Name: | heptyl 2-methyl-5-[(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonyl)amino]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 520.6 |
| Molecular Formula: | C28 H28 N2 O6 S |
| Smiles: | CCCCCCCOC(c1c2cc(ccc2oc1C)NS(c1ccc2c3c(cccc13)C(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6109 |
| logD: | 6.5025 |
| logSw: | -6.1708 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.855 |
| InChI Key: | KJUKTENZPXBOCV-UHFFFAOYSA-N |