methyl 2-{2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamido}benzoate
methyl 2-{2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M152-1544 |
| Compound Name: | methyl 2-{2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamido}benzoate |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C19 H18 N4 O5 S |
| Smiles: | COC(c1ccccc1NC(CN1C(C2=C(C=N1)SCC(N2CC=C)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5624 |
| logD: | 1.5552 |
| logSw: | -2.7271 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.991 |
| InChI Key: | VYWMDOAYRSBEQJ-UHFFFAOYSA-N |