N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-4-fluorobenzamide
N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-4-fluorobenzamide
Compound characteristics
Compound ID: | D097-0014 |
Compound Name: | N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-4-fluorobenzamide |
Molecular Weight: | 462.5 |
Molecular Formula: | C25 H19 F N2 O4 S |
Smiles: | C=CCN1C(=C(c2ccccc2S1(=O)=O)NC(c1ccc(cc1)F)=O)C(c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 4.2721 |
logD: | -1.3714 |
logSw: | -4.4498 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.679 |
InChI Key: | HNPJMBSRMHNSIY-UHFFFAOYSA-N |