N-tert-butyl-5-(4-{4-[chloro(difluoro)methoxy]anilino}phthalazin-1-yl)-2-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-tert-butyl-5-(4-{4-[chloro(difluoro)methoxy]anilino}phthalazin-1-yl)-2-methylbenzene-1-sulfonamide
N-tert-butyl-5-(4-{4-[chloro(difluoro)methoxy]anilino}phthalazin-1-yl)-2-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8012-0392 |
| Compound Name: | N-tert-butyl-5-(4-{4-[chloro(difluoro)methoxy]anilino}phthalazin-1-yl)-2-methylbenzene-1-sulfonamide |
| Molecular Weight: | 547.02 |
| Molecular Formula: | C26 H25 Cl F2 N4 O3 S |
| Smiles: | Cc1ccc(cc1S(NC(C)(C)C)(=O)=O)c1c2ccccc2c(Nc2ccc(cc2)OC(F)(F)[Cl])nn1 |
| Stereo: | ACHIRAL |
| logP: | 6.3592 |
| logD: | 6.3581 |
| logSw: | -6.4414 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.325 |
| InChI Key: | NNSLLUCBGUIWOB-UHFFFAOYSA-N |