5-benzyl-1-(3-nitrophenyl)-1,4,5,7-tetrahydro[1,4]oxazocino[6,7-b]indol-6(3H)-one
Chemical Structure Depiction of
5-benzyl-1-(3-nitrophenyl)-1,4,5,7-tetrahydro[1,4]oxazocino[6,7-b]indol-6(3H)-one
5-benzyl-1-(3-nitrophenyl)-1,4,5,7-tetrahydro[1,4]oxazocino[6,7-b]indol-6(3H)-one
Compound characteristics
| Compound ID: | 8017-2995 |
| Compound Name: | 5-benzyl-1-(3-nitrophenyl)-1,4,5,7-tetrahydro[1,4]oxazocino[6,7-b]indol-6(3H)-one |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C25 H21 N3 O4 |
| Smiles: | C1COC(c2cccc(c2)[N+]([O-])=O)c2c3ccccc3[nH]c2C(N1Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1652 |
| logD: | 4.1652 |
| logSw: | -4.4137 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.706 |
| InChI Key: | SYPMPHXMMZKFRT-XMMPIXPASA-N |