4-{[2-(dimethylamino)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[2-(dimethylamino)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
4-{[2-(dimethylamino)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0266-0174 |
| Compound Name: | 4-{[2-(dimethylamino)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 277.28 |
| Molecular Formula: | C13 H15 N3 O4 |
| Smiles: | CN(C)CCNC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.9894 |
| logD: | 0.9894 |
| logSw: | -2.2581 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.872 |
| InChI Key: | HRNYMYFAVNNWIQ-UHFFFAOYSA-N |