N-cyclopentyl-2-{[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-cyclopentyl-2-{[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide
N-cyclopentyl-2-{[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | E634-0456 |
| Compound Name: | N-cyclopentyl-2-{[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 493.69 |
| Molecular Formula: | C26 H31 N5 O S2 |
| Smiles: | CCC(C(NC1CCCC1)=O)Sc1nnc(c2cc3c(ccs3)n2C)n1c1cc(C)ccc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.191 |
| logD: | 6.191 |
| logSw: | -5.3799 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.742 |
| InChI Key: | DHWCUWXEZWMQMY-QFIPXVFZSA-N |