ethyl 4,5-dimethyl-2-[2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-[2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido]thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-[2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8298-0126 |
| Compound Name: | ethyl 4,5-dimethyl-2-[2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido]thiophene-3-carboxylate |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CC1c2ccccc2C(N(C)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6748 |
| logD: | 0.6555 |
| logSw: | -3.2363 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.747 |
| InChI Key: | PDPNHLCPGNPWFD-UHFFFAOYSA-N |