6-hydroxy-7-{[4-(piperidine-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-(propan-2-ylidene)-1-benzofuran-3(2H)-one
Chemical Structure Depiction of
6-hydroxy-7-{[4-(piperidine-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-(propan-2-ylidene)-1-benzofuran-3(2H)-one
6-hydroxy-7-{[4-(piperidine-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-(propan-2-ylidene)-1-benzofuran-3(2H)-one
Compound characteristics
| Compound ID: | Y043-5930 |
| Compound Name: | 6-hydroxy-7-{[4-(piperidine-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-(propan-2-ylidene)-1-benzofuran-3(2H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C22 H31 N3 O5 S |
| Smiles: | CC(C)=C1C(c2ccc(c(CN3CCCN(CC3)S(N3CCCCC3)(=O)=O)c2O1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.339 |
| logD: | 2.2954 |
| logSw: | -2.9473 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.626 |
| InChI Key: | OPGPXFANEAZFTF-UHFFFAOYSA-N |