N-(4-bromo-3-methylphenyl)-2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]acetamide
N-(4-bromo-3-methylphenyl)-2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]acetamide
Compound characteristics
| Compound ID: | C036-1010 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]acetamide |
| Molecular Weight: | 551.32 |
| Molecular Formula: | C18 H21 Br2 N3 O3 S2 |
| Smiles: | Cc1cc(ccc1[Br])NC(CN1CCCN(CC1)S(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6858 |
| logD: | 4.6857 |
| logSw: | -4.2598 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.989 |
| InChI Key: | IKEQHHKOBIHBDZ-UHFFFAOYSA-N |