N-[(4-butoxyphenyl)methyl]-1-(5-{2-[(4-methylanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-butoxyphenyl)methyl]-1-(5-{2-[(4-methylanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
N-[(4-butoxyphenyl)methyl]-1-(5-{2-[(4-methylanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1691 |
| Compound Name: | N-[(4-butoxyphenyl)methyl]-1-(5-{2-[(4-methylanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 558.75 |
| Molecular Formula: | C31 H38 N6 O2 S |
| Smiles: | CCCCOc1ccc(CNC(C2CCN(CC2)c2nnc(n3cccc3CNc3ccc(C)cc3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2041 |
| logD: | 6.2041 |
| logSw: | -5.2793 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.42 |
| InChI Key: | IOJUEIMLJIHGRE-UHFFFAOYSA-N |