3-[(7-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol
Chemical Structure Depiction of
3-[(7-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol
3-[(7-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol
Compound characteristics
| Compound ID: | C091-0284 |
| Compound Name: | 3-[(7-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol |
| Molecular Weight: | 476.92 |
| Molecular Formula: | C21 H25 Cl N6 O5 |
| Smiles: | COc1ccc(cc1CN1CCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCCO)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6861 |
| logD: | 3.6636 |
| logSw: | -4.1035 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.506 |
| InChI Key: | NFHYUPIFNJFNPA-UHFFFAOYSA-N |