methyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V008-9918 |
| Compound Name: | methyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 408.3 |
| Molecular Formula: | C18 H15 Cl2 N3 O2 S |
| Smiles: | CC(C(=O)OC)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.745 |
| logD: | 4.745 |
| logSw: | -4.8632 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.857 |
| InChI Key: | IMIOSVFGAAQGEN-NSHDSACASA-N |