propan-2-yl 2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-3706 |
| Compound Name: | propan-2-yl 2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 394.51 |
| Molecular Formula: | C17 H22 N4 O3 S2 |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(CSc1nncn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7978 |
| logD: | 0.7466 |
| logSw: | -3.2215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.029 |
| InChI Key: | MWRQJCLVCIFKSU-UHFFFAOYSA-N |