4-(3-methyl-5-oxo-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(3-methyl-5-oxo-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
4-(3-methyl-5-oxo-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4410-3608 |
| Compound Name: | 4-(3-methyl-5-oxo-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C23 H17 N3 O6 S |
| Smiles: | CC1/C(=C\c2ccc(c3ccc4COC(c4c3)=O)o2)C(N(c2ccc(cc2)S(N)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4158 |
| logD: | 2.4147 |
| logSw: | -2.9074 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.332 |
| InChI Key: | LMQYMPQZUUCTTR-UHFFFAOYSA-N |