4-[(2-ethylhexyl)amino]-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(2-ethylhexyl)amino]-3-nitro-2H-1-benzopyran-2-one
4-[(2-ethylhexyl)amino]-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 6220-8114 |
| Compound Name: | 4-[(2-ethylhexyl)amino]-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C17 H22 N2 O4 |
| Smiles: | CCCCC(CC)CNC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4527 |
| logD: | 4.2151 |
| logSw: | -4.6798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.165 |
| InChI Key: | OBKGKSUACQQVPV-LBPRGKRZSA-N |