N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]isoleucine
Chemical Structure Depiction of
N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]isoleucine
N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]isoleucine
Compound characteristics
| Compound ID: | D715-2654 |
| Compound Name: | N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]isoleucine |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C18 H19 N3 O3 S |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(c1ccc2c(c1)sc(n2)n1cccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7183 |
| logD: | -0.9207 |
| logSw: | -3.1301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.205 |
| InChI Key: | FDTBTRVZDPUVFT-ABAIWWIYSA-N |