N-[(7-nitro-1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]cyclohexanamine
Chemical Structure Depiction of
N-[(7-nitro-1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]cyclohexanamine
N-[(7-nitro-1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]cyclohexanamine
Compound characteristics
| Compound ID: | D163-0585 |
| Compound Name: | N-[(7-nitro-1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]cyclohexanamine |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C16 H22 N2 O4 |
| Smiles: | C1CCC(CC1)NCC1OCc2ccc(cc2CO1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.865 |
| logD: | 1.3737 |
| logSw: | -3.2728 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.13 |
| InChI Key: | LMJOHNLHHUVUNC-MRXNPFEDSA-N |