1-[4-(benzenesulfonyl)-2-(3-nitrophenyl)-1,3-oxazol-5-yl]azepane
Chemical Structure Depiction of
1-[4-(benzenesulfonyl)-2-(3-nitrophenyl)-1,3-oxazol-5-yl]azepane
1-[4-(benzenesulfonyl)-2-(3-nitrophenyl)-1,3-oxazol-5-yl]azepane
Compound characteristics
| Compound ID: | 6285-0306 |
| Compound Name: | 1-[4-(benzenesulfonyl)-2-(3-nitrophenyl)-1,3-oxazol-5-yl]azepane |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | C1CCCN(CC1)c1c(nc(c2cccc(c2)[N+]([O-])=O)o1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8066 |
| logD: | 4.8066 |
| logSw: | -4.8199 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.191 |
| InChI Key: | ACIOLPCBUGCVHD-UHFFFAOYSA-N |