1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}-2-(9H-xanthen-9-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}-2-(9H-xanthen-9-yl)ethan-1-one
1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}-2-(9H-xanthen-9-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8016-9086 |
| Compound Name: | 1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}-2-(9H-xanthen-9-yl)ethan-1-one |
| Molecular Weight: | 523.59 |
| Molecular Formula: | C30 H29 N5 O4 |
| Smiles: | Cc1cc(C)n(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(CC2c3ccccc3Oc3ccccc23)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2916 |
| logD: | 4.2914 |
| logSw: | -4.4822 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.085 |
| InChI Key: | IGOUPQXLMPXRGE-UHFFFAOYSA-N |