3-(4-amino-3-{[(3-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
Chemical Structure Depiction of
3-(4-amino-3-{[(3-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
3-(4-amino-3-{[(3-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
Compound characteristics
| Compound ID: | 8017-4194 |
| Compound Name: | 3-(4-amino-3-{[(3-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid |
| Molecular Weight: | 340.79 |
| Molecular Formula: | C13 H13 Cl N4 O3 S |
| Smiles: | C(CC(O)=O)C1C(N(C(=NN=1)SCc1cccc(c1)[Cl])N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6312 |
| logD: | -1.0281 |
| logSw: | -2.3963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.402 |
| InChI Key: | BLFVSBVVIGYIQF-UHFFFAOYSA-N |