3,5-bis{[(4-nitrophenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Chemical Structure Depiction of
3,5-bis{[(4-nitrophenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
3,5-bis{[(4-nitrophenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Compound characteristics
| Compound ID: | 4486-0054 |
| Compound Name: | 3,5-bis{[(4-nitrophenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C18 H12 N4 O4 S3 |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1c(C#N)c(SCc2ccc(cc2)[N+]([O-])=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.882 |
| logD: | 4.882 |
| logSw: | -5.0155 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.137 |
| InChI Key: | MORIEZVIIBHGJZ-UHFFFAOYSA-N |