N-[(furan-2-yl)methyl]-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzene-1-sulfonamide
N-[(furan-2-yl)methyl]-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8016-9887 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzene-1-sulfonamide |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C22 H19 N5 O3 S |
| Smiles: | Cc1ccc(cc1S(NCc1ccco1)(=O)=O)c1c2ccccc2c2nnc(C)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3563 |
| logD: | 3.3543 |
| logSw: | -3.6407 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.726 |
| InChI Key: | KIBDGEKEEADUBL-UHFFFAOYSA-N |