1-(5-{2-[(4-methylanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(5-{2-[(4-methylanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)piperidine-4-carboxamide
1-(5-{2-[(4-methylanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1695 |
| Compound Name: | 1-(5-{2-[(4-methylanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)piperidine-4-carboxamide |
| Molecular Weight: | 544.72 |
| Molecular Formula: | C30 H36 N6 O2 S |
| Smiles: | CC(C)Oc1ccc(CNC(C2CCN(CC2)c2nnc(n3cccc3CNc3ccc(C)cc3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4383 |
| logD: | 5.4383 |
| logSw: | -5.2208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.805 |
| InChI Key: | JYGPPATUVUORRV-UHFFFAOYSA-N |