3-(4-amino-3-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
Chemical Structure Depiction of
3-(4-amino-3-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
3-(4-amino-3-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
Compound characteristics
| Compound ID: | 8012-7278 |
| Compound Name: | 3-(4-amino-3-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C15 H17 N5 O4 S |
| Smiles: | Cc1cccc(c1)NC(CSC1=NN=C(CCC(O)=O)C(N1N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7336 |
| logD: | -1.9257 |
| logSw: | -2.1017 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 104.551 |
| InChI Key: | ZSVOJXOJQXRHTH-UHFFFAOYSA-N |