N-cyclohexyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-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
N-cyclohexyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-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
N-cyclohexyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-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: | 8017-3021 |
| Compound Name: | N-cyclohexyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-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: | 630.7 |
| Molecular Formula: | C34 H38 N4 O8 |
| Smiles: | COc1ccc(CCN2CC(NC(Cc3cccc(c3)Oc3cc(ccc3[N+]([O-])=O)C2=O)C(NC2CCCCC2)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8514 |
| logD: | 3.8514 |
| logSw: | -4.1756 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.971 |
| InChI Key: | FCMZFVLNNARQDB-MHZLTWQESA-N |