9-[2-(2-fluorophenyl)ethyl]-N-(3-methylbutyl)-4-nitro-8,11-dioxo-2-oxa-9,12-diazatricyclo[13.3.1.1~3,7~]icosa-1(19),3(20),4,6,15,17-hexaene-13-carboxamide
Chemical Structure Depiction of
9-[2-(2-fluorophenyl)ethyl]-N-(3-methylbutyl)-4-nitro-8,11-dioxo-2-oxa-9,12-diazatricyclo[13.3.1.1~3,7~]icosa-1(19),3(20),4,6,15,17-hexaene-13-carboxamide
9-[2-(2-fluorophenyl)ethyl]-N-(3-methylbutyl)-4-nitro-8,11-dioxo-2-oxa-9,12-diazatricyclo[13.3.1.1~3,7~]icosa-1(19),3(20),4,6,15,17-hexaene-13-carboxamide
Compound characteristics
| Compound ID: | 8017-3022 |
| Compound Name: | 9-[2-(2-fluorophenyl)ethyl]-N-(3-methylbutyl)-4-nitro-8,11-dioxo-2-oxa-9,12-diazatricyclo[13.3.1.1~3,7~]icosa-1(19),3(20),4,6,15,17-hexaene-13-carboxamide |
| Molecular Weight: | 576.63 |
| Molecular Formula: | C31 H33 F N4 O6 |
| Smiles: | CC(C)CCNC(C1Cc2cccc(c2)Oc2cc(ccc2[N+]([O-])=O)C(N(CCc2ccccc2F)CC(N1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8845 |
| logD: | 3.8845 |
| logSw: | -4.1034 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.098 |
| InChI Key: | YOUJJKOOTWUCEO-SANMLTNESA-N |