ethyl N-{5-[4-(3-carbamoyl-4-methoxyanilino)phthalazin-1-yl]-2-methylbenzene-1-sulfonyl}glycinate
Chemical Structure Depiction of
ethyl N-{5-[4-(3-carbamoyl-4-methoxyanilino)phthalazin-1-yl]-2-methylbenzene-1-sulfonyl}glycinate
ethyl N-{5-[4-(3-carbamoyl-4-methoxyanilino)phthalazin-1-yl]-2-methylbenzene-1-sulfonyl}glycinate
Compound characteristics
| Compound ID: | 4109-2100 |
| Compound Name: | ethyl N-{5-[4-(3-carbamoyl-4-methoxyanilino)phthalazin-1-yl]-2-methylbenzene-1-sulfonyl}glycinate |
| Molecular Weight: | 549.61 |
| Molecular Formula: | C27 H27 N5 O6 S |
| Smiles: | CCOC(CNS(c1cc(ccc1C)c1c2ccccc2c(Nc2ccc(c(c2)C(N)=O)OC)nn1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3895 |
| logD: | 3.3875 |
| logSw: | -3.7788 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 135.639 |
| InChI Key: | MQKLYIVEGBNYFI-UHFFFAOYSA-N |