N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
Compound ID: | G370-0623 |
Compound Name: | N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
Molecular Weight: | 463.35 |
Molecular Formula: | C20 H19 Br N2 O4 S |
Smiles: | COc1ccc(cc1CNC(c1cccc(c1)NC(C1=CSCCO1)=O)=O)[Br] |
Stereo: | ACHIRAL |
logP: | 3.5586 |
logD: | 3.5556 |
logSw: | -3.7133 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.002 |
InChI Key: | WREBILWRKMWJKD-UHFFFAOYSA-N |