2-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-2-oxoethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
2-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-2-oxoethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate
2-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-2-oxoethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | 8010-3488 |
| Compound Name: | 2-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-2-oxoethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 515.59 |
| Molecular Formula: | C28 H25 N3 O5 S |
| Smiles: | Cc1c(C(=O)OCC(Nc2c(C(=O)OC)c3CCCc3s2)=O)c(c2ccccc2)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6715 |
| logD: | 2.78 |
| logSw: | -4.6126 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.84 |
| InChI Key: | BUBNXBZVEJPKFQ-UHFFFAOYSA-N |