4-{[2-(morpholin-4-yl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[2-(morpholin-4-yl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
4-{[2-(morpholin-4-yl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 3950-0012 |
| Compound Name: | 4-{[2-(morpholin-4-yl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 319.31 |
| Molecular Formula: | C15 H17 N3 O5 |
| Smiles: | C(CN1CCOCC1)NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.726 |
| logD: | -0.0226 |
| logSw: | -2.2167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.626 |
| InChI Key: | BSXVKOAHJVXUFN-UHFFFAOYSA-N |