methyl 4-{5-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]furan-2-yl}benzoate
methyl 4-{5-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | D175-0093 |
| Compound Name: | methyl 4-{5-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 409.89 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(c2ccc(cc2)C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.2278 |
| logD: | 0.2217 |
| logSw: | -2.6247 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.933 |
| InChI Key: | HZPBVJSFUQNZAL-UHFFFAOYSA-N |