2-[4-(4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[4-(4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
2-[4-(4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C036-0285 |
| Compound Name: | 2-[4-(4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C20 H24 F N3 O4 S |
| Smiles: | COc1cccc(c1)NC(CN1CCCN(CC1)S(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0781 |
| logD: | 3.078 |
| logSw: | -3.4003 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.514 |
| InChI Key: | UFSSEHKZUKGWOQ-UHFFFAOYSA-N |