N-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C033-0175 |
| Compound Name: | N-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 534.41 |
| Molecular Formula: | C27 H24 Br N3 O4 |
| Smiles: | Cc1cc(ccc1NC(CCNC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)OC)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5012 |
| logD: | 3.5007 |
| logSw: | -3.85 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.005 |
| InChI Key: | CBOLOEZFDPSCOL-UHFFFAOYSA-N |