N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
Compound ID: | 8010-2789 |
Compound Name: | N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
Molecular Weight: | 403.48 |
Molecular Formula: | C18 H17 N3 O4 S2 |
Smiles: | CCC(Nc1ccc2c(c1)sc(n2)SCc1cc(ccc1OC)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5471 |
logD: | 4.5471 |
logSw: | -4.5327 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.21 |
InChI Key: | HQWIAHVYNBFYEG-UHFFFAOYSA-N |