ethyl 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
ethyl 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 3574-0050 |
| Compound Name: | ethyl 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 491.42 |
| Molecular Formula: | C21 H19 Br N2 O3 S2 |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSc1nc2ccccc2s1)[Br])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9395 |
| logD: | 5.9395 |
| logSw: | -5.5738 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.225 |
| InChI Key: | WDVNGFKCXWWYRR-UHFFFAOYSA-N |