4-(cyclooctylamino)-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(cyclooctylamino)-3-nitro-2H-1-benzopyran-2-one
4-(cyclooctylamino)-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8010-5397 |
| Compound Name: | 4-(cyclooctylamino)-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 316.35 |
| Molecular Formula: | C17 H20 N2 O4 |
| Smiles: | C1CCCC(CCC1)NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0549 |
| logD: | 3.8976 |
| logSw: | -4.4043 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.95 |
| InChI Key: | KEACGRGCMZWRGA-UHFFFAOYSA-N |