4-benzoyl-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-benzoyl-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide
4-benzoyl-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | L271-0050 |
| Compound Name: | 4-benzoyl-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C21 H26 N4 O4 S2 |
| Smiles: | C1CCN(C1)S(c1ccc(NC(N2CCCN(CC2)C(c2ccccc2)=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1964 |
| logD: | 2.196 |
| logSw: | -2.7374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.064 |
| InChI Key: | KPHLAJPNNDKSIN-UHFFFAOYSA-N |