N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]phenylalanine
Chemical Structure Depiction of
N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]phenylalanine
N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]phenylalanine
Compound characteristics
| Compound ID: | Y042-3172 |
| Compound Name: | N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]phenylalanine |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C21 H17 N3 O3 S |
| Smiles: | C(C(C(O)=O)NC(c1ccc2c(c1)sc(n2)n1cccc1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0667 |
| logD: | -0.5758 |
| logSw: | -3.5486 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.212 |
| InChI Key: | GYJLUZTYXKBJCJ-KRWDZBQOSA-N |