8-[3-(dichloromethyl)-4-nitro-1-phenyl-1H-pyrazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
Chemical Structure Depiction of
8-[3-(dichloromethyl)-4-nitro-1-phenyl-1H-pyrazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
8-[3-(dichloromethyl)-4-nitro-1-phenyl-1H-pyrazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
Compound characteristics
| Compound ID: | 4872-0677 |
| Compound Name: | 8-[3-(dichloromethyl)-4-nitro-1-phenyl-1H-pyrazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane |
| Molecular Weight: | 413.26 |
| Molecular Formula: | C17 H18 Cl2 N4 O4 |
| Smiles: | C1CN(CCC12OCCO2)c1c(c(C([Cl])[Cl])nn1c1ccccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8673 |
| logD: | 3.8673 |
| logSw: | -4.1995 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.325 |
| InChI Key: | WMMTVDZXVWRRJF-UHFFFAOYSA-N |