methyl 3-({[4-(pyrrolidine-1-sulfonyl)benzoyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({[4-(pyrrolidine-1-sulfonyl)benzoyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate
methyl 3-({[4-(pyrrolidine-1-sulfonyl)benzoyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 3343-0667 |
| Compound Name: | methyl 3-({[4-(pyrrolidine-1-sulfonyl)benzoyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C22 H21 N3 O5 S3 |
| Smiles: | COC(c1c(c2ccccc2s1)NC(NC(c1ccc(cc1)S(N1CCCC1)(=O)=O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7003 |
| logD: | 3.687 |
| logSw: | -4.0424 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.842 |
| InChI Key: | FJQVNICZZRXRAF-UHFFFAOYSA-N |