N-(2-{[(3-chlorophenyl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-(2-{[(3-chlorophenyl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-(2-{[(3-chlorophenyl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
Compound ID: | D715-1442 |
Compound Name: | N-(2-{[(3-chlorophenyl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
Molecular Weight: | 424.91 |
Molecular Formula: | C21 H17 Cl N4 O2 S |
Smiles: | C(C(NCc1cccc(c1)[Cl])=O)NC(c1ccc2c(c1)sc(n2)n1cccc1)=O |
Stereo: | ACHIRAL |
logP: | 4.7576 |
logD: | 4.7576 |
logSw: | -4.9656 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.645 |
InChI Key: | GWLFSIBLVVQPLX-UHFFFAOYSA-N |