methyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C592-0301 |
| Compound Name: | methyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 360.43 |
| Molecular Formula: | C17 H20 N4 O3 S |
| Smiles: | CC(C(=O)OC)Sc1nnc(c2c[nH]c3ccccc23)n1CCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8681 |
| logD: | 2.8681 |
| logSw: | -3.247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.878 |
| InChI Key: | UEUKMDXTIXCFIV-NSHDSACASA-N |