N-benzyl-7-nitro-1,2,3,4-tetrahydro-4aH-xanthen-4a-amine
Chemical Structure Depiction of
N-benzyl-7-nitro-1,2,3,4-tetrahydro-4aH-xanthen-4a-amine
N-benzyl-7-nitro-1,2,3,4-tetrahydro-4aH-xanthen-4a-amine
Compound characteristics
| Compound ID: | 3824-0033 |
| Compound Name: | N-benzyl-7-nitro-1,2,3,4-tetrahydro-4aH-xanthen-4a-amine |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C20 H20 N2 O3 |
| Smiles: | C1CCC2(C(C1)=Cc1cc(ccc1O2)[N+]([O-])=O)NCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.319 |
| logD: | 4.2671 |
| logSw: | -4.5446 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.037 |
| InChI Key: | UTPFNWORGGINAJ-FQEVSTJZSA-N |