3-butyl-1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
3-butyl-1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
3-butyl-1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | 8014-2772 |
| Compound Name: | 3-butyl-1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 360.88 |
| Molecular Formula: | C20 H25 Cl N2 O2 |
| Smiles: | CCCCc1c2C(CC(C)(C)Cc2n(c2cc(ccc2OC)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9409 |
| logD: | 4.9409 |
| logSw: | -5.0691 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.828 |
| InChI Key: | DSRVJKRBCPAVJG-UHFFFAOYSA-N |