3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide
Chemical Structure Depiction of
3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide
3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | F127-0539 |
| Compound Name: | 3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C23 H21 N7 O2 S |
| Smiles: | Cc1c(CNC(c2cccc(c2)NC2=NN3C(=Nc4ccccc4C3=O)S2)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.419 |
| logD: | 2.4101 |
| logSw: | -3.1495 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.119 |
| InChI Key: | MTJFSTPLOCCTFQ-UHFFFAOYSA-N |