N-(2-{[3-(pyrrolidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[3-(pyrrolidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[3-(pyrrolidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
Compound ID: | G370-0927 |
Compound Name: | N-(2-{[3-(pyrrolidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
Molecular Weight: | 375.49 |
Molecular Formula: | C19 H25 N3 O3 S |
Smiles: | C1CCN(C1)CCCNC(c1ccccc1NC(C1=CSCCO1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.5287 |
logD: | -1.5037 |
logSw: | -2.4385 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.864 |
InChI Key: | LLAPOLQOHFKSMO-UHFFFAOYSA-N |