propan-2-yl 2-{2-[(1H-1,2,3-triazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{2-[(1H-1,2,3-triazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-{2-[(1H-1,2,3-triazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8020-9032 |
| Compound Name: | propan-2-yl 2-{2-[(1H-1,2,3-triazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C16 H20 N4 O3 S2 |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(CSc1cnn[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5443 |
| logD: | 1.3879 |
| logSw: | -3.9223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.458 |
| InChI Key: | MZVBOLCZFHCJIN-UHFFFAOYSA-N |