N-(3-chloro-4-methoxyphenyl)-2-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide
Compound characteristics
| Compound ID: | C036-0158 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide |
| Molecular Weight: | 467.97 |
| Molecular Formula: | C21 H26 Cl N3 O5 S |
| Smiles: | COc1ccc(cc1)S(N1CCCN(CC1)CC(Nc1ccc(c(c1)[Cl])OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4756 |
| logD: | 3.4751 |
| logSw: | -3.7667 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.144 |
| InChI Key: | CZKXTCGYXUGIEC-UHFFFAOYSA-N |