N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | 8015-9527 |
| Compound Name: | N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C20 H16 N4 O2 S2 |
| Smiles: | Cc1c(C(NC(Nc2c(C#N)c3CCCc3s2)=S)=O)c(c2ccccc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.9988 |
| logD: | 3.6408 |
| logSw: | -4.3864 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.337 |
| InChI Key: | OETZIRPFQXQKQY-UHFFFAOYSA-N |