N-[(3,4-dimethylphenyl)methyl]-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-[(3,4-dimethylphenyl)methyl]-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-[(3,4-dimethylphenyl)methyl]-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: | M152-1658 |
| Compound Name: | N-[(3,4-dimethylphenyl)methyl]-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: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | Cc1ccc(CNC(CN2C(C3=C(C=N2)SCC(N3CC=C)=O)=O)=O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 2.4354 |
| logD: | 2.4354 |
| logSw: | -2.6337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.837 |
| InChI Key: | RPCMQVWLEDMBNO-UHFFFAOYSA-N |