ethyl 4-[3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamido]benzoate
Chemical Structure Depiction of
ethyl 4-[3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamido]benzoate
ethyl 4-[3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamido]benzoate
Compound characteristics
| Compound ID: | C201-0185 |
| Compound Name: | ethyl 4-[3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamido]benzoate |
| Molecular Weight: | 505.96 |
| Molecular Formula: | C27 H24 Cl N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1cccc(c1)N1C(NC2CC1(C)Oc1ccc(cc12)[Cl])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5843 |
| logD: | 5.5836 |
| logSw: | -5.9527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.922 |
| InChI Key: | WFRCXTPCNSVBPN-UHFFFAOYSA-N |