N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1479 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 625.59 |
| Molecular Formula: | C29 H33 Br N6 O3 S |
| Smiles: | CCOc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NCc2cc(ccc2OC)[Br])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.6106 |
| logD: | 5.6106 |
| logSw: | -5.3826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.756 |
| InChI Key: | DBMSRAJNVXDCAE-UHFFFAOYSA-N |