ethyl 3-{[2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]amino}benzoate
ethyl 3-{[2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | D505-0142 |
| Compound Name: | ethyl 3-{[2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | CCOC(c1cccc(c1)NS(c1cc(ccc1C)C1C2CCCCC=2C(N(C)N=1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2978 |
| logD: | 5.0584 |
| logSw: | -5.15 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.741 |
| InChI Key: | RBFJBTNISVBVBQ-UHFFFAOYSA-N |