ethyl 4-({[(3-bromophenyl)methyl](2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino}methyl)cyclohexane-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({[(3-bromophenyl)methyl](2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino}methyl)cyclohexane-1-carboxylate
ethyl 4-({[(3-bromophenyl)methyl](2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino}methyl)cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | K784-4249 |
| Compound Name: | ethyl 4-({[(3-bromophenyl)methyl](2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino}methyl)cyclohexane-1-carboxylate |
| Molecular Weight: | 552.48 |
| Molecular Formula: | C25 H30 Br N O6 S |
| Smiles: | CCOC(C1CCC(CC1)CN(Cc1cccc(c1)[Br])S(c1ccc2c(c1)OCCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0692 |
| logD: | 5.0692 |
| logSw: | -4.7488 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.111 |
| InChI Key: | NPEHVZUAWFRIBL-UHFFFAOYSA-N |