1-(5-{2-[(4-methylanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-{[4-(methylsulfanyl)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-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
1-(5-{2-[(4-methylanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1675 |
| Compound Name: | 1-(5-{2-[(4-methylanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 532.73 |
| Molecular Formula: | C28 H32 N6 O S2 |
| Smiles: | Cc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NCc2ccc(cc2)SC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4911 |
| logD: | 5.491 |
| logSw: | -5.3154 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.002 |
| InChI Key: | JWWDPWJYMXMAHG-UHFFFAOYSA-N |