4-{[3-(dimethylamino)propyl]amino}-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[3-(dimethylamino)propyl]amino}-3-nitro-2H-1-benzopyran-2-one
4-{[3-(dimethylamino)propyl]amino}-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | 0266-0175 |
Compound Name: | 4-{[3-(dimethylamino)propyl]amino}-3-nitro-2H-1-benzopyran-2-one |
Molecular Weight: | 291.3 |
Molecular Formula: | C14 H17 N3 O4 |
Smiles: | CN(C)CCCNC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 0.9958 |
logD: | -1.4635 |
logSw: | -2.2229 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.872 |
InChI Key: | PKXLBHAGDOATFG-UHFFFAOYSA-N |