4-({[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methoxyphenyl thiocyanate
Chemical Structure Depiction of
4-({[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methoxyphenyl thiocyanate
4-({[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methoxyphenyl thiocyanate
Compound characteristics
| Compound ID: | 8010-2476 |
| Compound Name: | 4-({[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methoxyphenyl thiocyanate |
| Molecular Weight: | 443.32 |
| Molecular Formula: | C19 H15 Br N4 O2 S |
| Smiles: | CC1/C(=C/Nc2ccc(cc2OC)SC#N)C(N(c2ccc(cc2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1921 |
| logD: | 4.1601 |
| logSw: | -4.3936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.917 |
| InChI Key: | OTCLWDGEQSQNEN-UHFFFAOYSA-N |