(azepan-1-yl){3-[4-hydroxy-2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methoxyphenyl}methanone
Chemical Structure Depiction of
(azepan-1-yl){3-[4-hydroxy-2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methoxyphenyl}methanone
(azepan-1-yl){3-[4-hydroxy-2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methoxyphenyl}methanone
Compound characteristics
| Compound ID: | IB07-8259 |
| Compound Name: | (azepan-1-yl){3-[4-hydroxy-2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methoxyphenyl}methanone |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | COc1ccc(cc1N1CC(=C(C1=N)c1nc(cs1)c1ccccc1)O)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.24 |
| logD: | 2.02 |
| logSw: | -5.93 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.15 |
| InChI Key: | PPUQKTWEOVXZLA-UHFFFAOYSA-N |