3-{[7-(3-methoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Chemical Structure Depiction of
3-{[7-(3-methoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
3-{[7-(3-methoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Compound characteristics
| Compound ID: | C091-0004 |
| Compound Name: | 3-{[7-(3-methoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol |
| Molecular Weight: | 359.34 |
| Molecular Formula: | C16 H17 N5 O5 |
| Smiles: | COc1cccc(c1)Nc1cc(c(c2c1non2)[N+]([O-])=O)NCCCO |
| Stereo: | ACHIRAL |
| logP: | 3.3051 |
| logD: | 3.3051 |
| logSw: | -3.6312 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.942 |
| InChI Key: | QPRQSBVBPSWRFU-UHFFFAOYSA-N |