2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(4-chlorophenyl)acetamide
2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | C036-1004 |
| Compound Name: | 2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 492.84 |
| Molecular Formula: | C17 H19 Br Cl N3 O3 S2 |
| Smiles: | C1CN(CCN(C1)S(c1ccc(s1)[Br])(=O)=O)CC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.106 |
| logD: | 4.1058 |
| logSw: | -4.4403 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.989 |
| InChI Key: | GRXRLIOQEAVCNP-UHFFFAOYSA-N |