N-(3-chloro-4-methoxyphenyl)-2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamide
Compound characteristics
| Compound ID: | M152-1557 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamide |
| Molecular Weight: | 420.87 |
| Molecular Formula: | C18 H17 Cl N4 O4 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CN1C(C2=C(C=N1)SCC(N2CC=C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3485 |
| logD: | 2.3483 |
| logSw: | -3.2524 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.146 |
| InChI Key: | TWHPXXVMHMKJHR-UHFFFAOYSA-N |