N-(4-bromophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-fluorobenzamide
Chemical Structure Depiction of
N-(4-bromophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-fluorobenzamide
N-(4-bromophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | K781-9103 |
| Compound Name: | N-(4-bromophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-fluorobenzamide |
| Molecular Weight: | 499.35 |
| Molecular Formula: | C20 H20 Br F N2 O5 S |
| Smiles: | C1CN(CCC12OCCO2)S(c1ccc(c(c1)C(Nc1ccc(cc1)[Br])=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6988 |
| logD: | 3.5576 |
| logSw: | -4.1038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.477 |
| InChI Key: | LXTHSDWQWHUVBG-UHFFFAOYSA-N |