3-nitro-4-[(1-phenylethyl)amino]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-nitro-4-[(1-phenylethyl)amino]-2H-1-benzopyran-2-one
3-nitro-4-[(1-phenylethyl)amino]-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | 6220-0807 |
Compound Name: | 3-nitro-4-[(1-phenylethyl)amino]-2H-1-benzopyran-2-one |
Molecular Weight: | 310.31 |
Molecular Formula: | C17 H14 N2 O4 |
Smiles: | CC(c1ccccc1)NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9773 |
logD: | 1.4885 |
logSw: | -3.7044 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.057 |
InChI Key: | UBWUFOROAVBWDP-NSHDSACASA-N |