2-({[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)-1,3-benzothiazol-6-yl thiocyanate
Chemical Structure Depiction of
2-({[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)-1,3-benzothiazol-6-yl thiocyanate
2-({[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)-1,3-benzothiazol-6-yl thiocyanate
Compound characteristics
| Compound ID: | Y500-9884 |
| Compound Name: | 2-({[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)-1,3-benzothiazol-6-yl thiocyanate |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C20 H13 N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/Nc2nc3ccc(cc3s2)SC#N)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4341 |
| logD: | 3.0645 |
| logSw: | -3.8102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.55 |
| InChI Key: | QAHLVZFYOVGVSU-UHFFFAOYSA-N |