4-(2-methoxybenzoyl)-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(2-methoxybenzoyl)-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide
4-(2-methoxybenzoyl)-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | L271-0030 |
| Compound Name: | 4-(2-methoxybenzoyl)-N-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C22 H28 N4 O5 S2 |
| Smiles: | COc1ccccc1C(N1CCCN(CC1)C(Nc1ccc(s1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1842 |
| logD: | 2.1839 |
| logSw: | -3.0084 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.694 |
| InChI Key: | OOBNDMULOQSYMC-UHFFFAOYSA-N |