1-[(azepan-2-ylidene)(nitro)methyl]-11-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-ol--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[(azepan-2-ylidene)(nitro)methyl]-11-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-ol--hydrogen chloride (1/1)
1-[(azepan-2-ylidene)(nitro)methyl]-11-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-ol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4286-0086 |
| Compound Name: | 1-[(azepan-2-ylidene)(nitro)methyl]-11-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-ol--hydrogen chloride (1/1) |
| Molecular Weight: | 436.89 |
| Molecular Formula: | C20 H24 N4 O5 |
| Salt: | HCl |
| Smiles: | C1CC\C(=C(/c2c(ccc3c2c(c2CCCCCn23)[N+]([O-])=O)O)[N+]([O-])=O)NCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3894 |
| logD: | 4.339 |
| logSw: | -4.4238 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.125 |
| InChI Key: | XWEDBAXHJZJSGV-UYRXBGFRSA-N |