methyl {[5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7432 |
| Compound Name: | methyl {[5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 363.5 |
| Molecular Formula: | C17 H21 N3 O2 S2 |
| Smiles: | CC1CCc2c(csc2C1)c1nnc(n1CC=C)SCC(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8831 |
| logD: | 3.8828 |
| logSw: | -3.9695 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.008 |
| InChI Key: | HNEJGTZTOIYDFU-LLVKDONJSA-N |