3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(thiophen-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(thiophen-2-yl)methyl]propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(thiophen-2-yl)methyl]propanamide
Compound characteristics
Compound ID: | E511-0642 |
Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(thiophen-2-yl)methyl]propanamide |
Molecular Weight: | 414.88 |
Molecular Formula: | C16 H15 Cl N2 O5 S2 |
Smiles: | C(CS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)C(NCc1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 1.5039 |
logD: | 1.4824 |
logSw: | -2.7059 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.763 |
InChI Key: | JWVWGIANTOSZBU-UHFFFAOYSA-N |