N-(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | D715-1436 |
| Compound Name: | N-(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | COc1ccc(CNC(CNC(c2ccc3c(c2)sc(n3)n2cccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0426 |
| logD: | 4.0426 |
| logSw: | -4.1977 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.188 |
| InChI Key: | MRPWTXYFCQKZKA-UHFFFAOYSA-N |