N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(4-methoxyphenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(4-methoxyphenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(4-methoxyphenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | V027-8954 |
| Compound Name: | N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(4-methoxyphenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 587.83 |
| Molecular Formula: | C35 H45 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCCNC(c1cc(c2cccs2)nn1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 9.1423 |
| logD: | 9.1423 |
| logSw: | -5.6883 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.383 |
| InChI Key: | HJZIGXSNKDSVHN-UHFFFAOYSA-N |