3,4-dichloro-N-(2-{[2-(4-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
3,4-dichloro-N-(2-{[2-(4-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
3,4-dichloro-N-(2-{[2-(4-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
Compound ID: | 8009-0088 |
Compound Name: | 3,4-dichloro-N-(2-{[2-(4-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
Molecular Weight: | 533.41 |
Molecular Formula: | C22 H14 Cl2 N4 O4 S2 |
Smiles: | C(C(Nc1ccc(cc1)[N+]([O-])=O)=O)Sc1nc2ccc(cc2s1)NC(c1ccc(c(c1)[Cl])[Cl])=O |
Stereo: | ACHIRAL |
logP: | 6.3493 |
logD: | 6.3097 |
logSw: | -6.5197 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.67 |
InChI Key: | CFTOMMPTUIMHKF-UHFFFAOYSA-N |