N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide
N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide
Compound characteristics
| Compound ID: | C036-0290 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C21 H26 F N3 O5 S |
| Smiles: | COc1ccc(cc1OC)NC(CN1CCCN(CC1)S(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5466 |
| logD: | 2.5465 |
| logSw: | -3.0755 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.231 |
| InChI Key: | AAWYALLVZQHQNN-UHFFFAOYSA-N |