6-amino-4-(5-{[(4-bromophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(5-{[(4-bromophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(5-{[(4-bromophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 4815-0044 |
| Compound Name: | 6-amino-4-(5-{[(4-bromophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 481.41 |
| Molecular Formula: | C23 H21 Br N4 O S |
| Smiles: | Cc1cc(C)c(cc1CSc1ccc(cc1)[Br])C1C(C#N)=C(N)Oc2c1c(C)[nH]n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.89 |
| logD: | 5.89 |
| logSw: | -5.5575 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.28 |
| InChI Key: | KVVNWJWHGKLKRJ-NRFANRHFSA-N |