4-(3-methylbenzoyl)-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(3-methylbenzoyl)-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide
4-(3-methylbenzoyl)-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | L271-0021 |
| Compound Name: | 4-(3-methylbenzoyl)-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 476.62 |
| Molecular Formula: | C22 H28 N4 O4 S2 |
| Smiles: | Cc1cccc(c1)C(N1CCCN(CC1)C(Nc1ccc(s1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5885 |
| logD: | 2.5881 |
| logSw: | -3.0559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.064 |
| InChI Key: | CRXRWQUTVHONOR-UHFFFAOYSA-N |