3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one
3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | 8002-4774 |
| Compound Name: | 3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 313.31 |
| Molecular Formula: | C16 H15 N3 O4 |
| Smiles: | Cc1ccc(c(C)c1)NCN1C(=O)Oc2cc(ccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8111 |
| logD: | 3.8111 |
| logSw: | -4.0096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.91 |
| InChI Key: | WINYRCCHZCJBTH-UHFFFAOYSA-N |