3-[(7-{[(4-methylphenyl)methyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol
Chemical Structure Depiction of
3-[(7-{[(4-methylphenyl)methyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol
3-[(7-{[(4-methylphenyl)methyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol
Compound characteristics
| Compound ID: | K901-0785 |
| Compound Name: | 3-[(7-{[(4-methylphenyl)methyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol |
| Molecular Weight: | 357.37 |
| Molecular Formula: | C17 H19 N5 O4 |
| Smiles: | Cc1ccc(CNc2cc(c(c3c2non3)[N+]([O-])=O)NCCCO)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9379 |
| logD: | 2.9379 |
| logSw: | -3.2534 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.72 |
| InChI Key: | YRIPGAZFSHFPKT-UHFFFAOYSA-N |