3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-{4-[(propan-2-yl)oxy]phenyl}propanoic acid
Chemical Structure Depiction of
3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-{4-[(propan-2-yl)oxy]phenyl}propanoic acid
3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-{4-[(propan-2-yl)oxy]phenyl}propanoic acid
Compound characteristics
| Compound ID: | 8015-3540 |
| Compound Name: | 3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-{4-[(propan-2-yl)oxy]phenyl}propanoic acid |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C16 H21 N5 O4 S |
| Smiles: | CC(C)Oc1ccc(cc1)C(CC(O)=O)NC(CSc1nc(N)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8134 |
| logD: | -1.8243 |
| logSw: | -2.0559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 112.5 |
| InChI Key: | AJBWQGKSKSVROK-LBPRGKRZSA-N |