ethyl 2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4052-2770 |
| Compound Name: | ethyl 2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C21 H23 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnnn1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3614 |
| logD: | 2.3747 |
| logSw: | -4.295 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.838 |
| InChI Key: | YCNXYAVZVDZDGR-UHFFFAOYSA-N |