N-(2-methyl-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
N-(2-methyl-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
N-(2-methyl-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Compound characteristics
Compound ID: | 5983-5227 |
Compound Name: | N-(2-methyl-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide |
Molecular Weight: | 389.38 |
Molecular Formula: | C17 H15 N3 O6 S |
Smiles: | Cc1ccc(cc1NC(CCN1C(c2ccccc2S1(=O)=O)=O)=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 1.264 |
logD: | 1.2612 |
logSw: | -2.5643 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 100.995 |
InChI Key: | KUIZUPOMRFLCGD-UHFFFAOYSA-N |