methyl 2-[(4-bromobenzene-1-sulfonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(4-bromobenzene-1-sulfonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[(4-bromobenzene-1-sulfonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-1024 |
| Compound Name: | methyl 2-[(4-bromobenzene-1-sulfonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 458.39 |
| Molecular Formula: | C18 H20 Br N O4 S2 |
| Smiles: | COC(c1c2CCCCCCc2sc1NS(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4224 |
| logD: | -1.0336 |
| logSw: | -5.4269 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.108 |
| InChI Key: | DUVPHVZAPWYYMG-UHFFFAOYSA-N |