methyl 4-{2-[(phthalazin-1-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(phthalazin-1-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(phthalazin-1-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8015-5022 |
| Compound Name: | methyl 4-{2-[(phthalazin-1-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C18 H15 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1c2ccccc2cnn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1501 |
| logD: | 3.1501 |
| logSw: | -3.3091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.823 |
| InChI Key: | MYZAZKVZPXCBDK-UHFFFAOYSA-N |