methyl 4-({2-[3-(5-bromothiophen-2-yl)-1H-pyrazole-5-carbonyl]hydrazinylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({2-[3-(5-bromothiophen-2-yl)-1H-pyrazole-5-carbonyl]hydrazinylidene}methyl)benzoate
methyl 4-({2-[3-(5-bromothiophen-2-yl)-1H-pyrazole-5-carbonyl]hydrazinylidene}methyl)benzoate
Compound characteristics
Compound ID: | 3254-4139 |
Compound Name: | methyl 4-({2-[3-(5-bromothiophen-2-yl)-1H-pyrazole-5-carbonyl]hydrazinylidene}methyl)benzoate |
Molecular Weight: | 433.28 |
Molecular Formula: | C17 H13 Br N4 O3 S |
Smiles: | COC(c1ccc(/C=N/NC(c2cc(c3ccc(s3)[Br])n[nH]2)=O)cc1)=O |
Stereo: | ACHIRAL |
logP: | 4.3671 |
logD: | 4.3663 |
logSw: | -4.399 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.236 |
InChI Key: | HNDQEHKSSDUNQQ-UHFFFAOYSA-N |