3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
Compound characteristics
Compound ID: | C082-0114 |
Compound Name: | 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide |
Molecular Weight: | 381.45 |
Molecular Formula: | C20 H19 N3 O3 S |
Smiles: | Cc1ccc2c(c1)sc(NC(CCN1C(C3C4CC(C=C4)C3C1=O)=O)=O)n2 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.6426 |
logD: | 2.6425 |
logSw: | -3.1001 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.225 |
InChI Key: | UUQVNFOOLZYPIP-UHFFFAOYSA-N |