2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-[4-(diethylamino)phenyl]acetamide
Chemical Structure Depiction of
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-[4-(diethylamino)phenyl]acetamide
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-[4-(diethylamino)phenyl]acetamide
Compound characteristics
| Compound ID: | C036-0054 |
| Compound Name: | 2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-[4-(diethylamino)phenyl]acetamide |
| Molecular Weight: | 523.49 |
| Molecular Formula: | C23 H31 Br N4 O3 S |
| Smiles: | CCN(CC)c1ccc(cc1)NC(CN1CCCN(CC1)S(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.627 |
| logD: | 4.4346 |
| logSw: | -4.021 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.706 |
| InChI Key: | OMULJPKJSHRDRV-UHFFFAOYSA-N |