3-({7-[benzyl(2-phenylethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Chemical Structure Depiction of
3-({7-[benzyl(2-phenylethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
3-({7-[benzyl(2-phenylethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Compound characteristics
| Compound ID: | K901-0927 |
| Compound Name: | 3-({7-[benzyl(2-phenylethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C24 H25 N5 O4 |
| Smiles: | C(CNc1cc(c2c(c1[N+]([O-])=O)non2)N(CCc1ccccc1)Cc1ccccc1)CO |
| Stereo: | ACHIRAL |
| logP: | 4.7838 |
| logD: | 4.7838 |
| logSw: | -4.6688 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.605 |
| InChI Key: | VWFMRSBXTLGDOD-UHFFFAOYSA-N |