4-{[3-(morpholin-4-yl)propyl]amino}-3-nitro-2H-1-benzothiopyran-2-one
Chemical Structure Depiction of
4-{[3-(morpholin-4-yl)propyl]amino}-3-nitro-2H-1-benzothiopyran-2-one
4-{[3-(morpholin-4-yl)propyl]amino}-3-nitro-2H-1-benzothiopyran-2-one
Compound characteristics
| Compound ID: | 1069-0048 |
| Compound Name: | 4-{[3-(morpholin-4-yl)propyl]amino}-3-nitro-2H-1-benzothiopyran-2-one |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C16 H19 N3 O4 S |
| Smiles: | C(CNC1=C(C(=O)Sc2ccccc12)[N+]([O-])=O)CN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 1.5018 |
| logD: | 1.0862 |
| logSw: | -2.3319 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.698 |
| InChI Key: | NSIQIJLQSLVHDB-UHFFFAOYSA-N |