3-(3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide
Chemical Structure Depiction of
3-(3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide
3-(3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y500-4136 |
| Compound Name: | 3-(3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide |
| Molecular Weight: | 361.34 |
| Molecular Formula: | C13 H11 N7 O4 S |
| Smiles: | C(Cn1cnc(n1)[N+]([O-])=O)C(NN1C(=Nc2ccccc2C1=O)S)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6361 |
| logD: | -6.4628 |
| logSw: | -2.393 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.383 |
| InChI Key: | NAZWGTCXWNTHPL-UHFFFAOYSA-N |