N-{2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-{2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-{2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0463 |
| Compound Name: | N-{2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 519.97 |
| Molecular Formula: | C25 H18 Cl N5 O4 S |
| Smiles: | COc1ccc(cc1[Cl])N1C(c2ccccc2C(C(NCC(Nc2nc3ccccc3s2)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4406 |
| logD: | 4.4406 |
| logSw: | -4.6106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.002 |
| InChI Key: | ZRCZLXMKLOTUOG-UHFFFAOYSA-N |