4-({[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)phenyl thiocyanate
Chemical Structure Depiction of
4-({[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)phenyl thiocyanate
4-({[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)phenyl thiocyanate
Compound characteristics
| Compound ID: | Y508-2083 |
| Compound Name: | 4-({[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)phenyl thiocyanate |
| Molecular Weight: | 398.83 |
| Molecular Formula: | C18 H11 Cl N4 O3 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1cccc(c1)[Cl])=O)=O)\Nc1ccc(cc1)SC#N |
| Stereo: | ACHIRAL |
| logP: | 2.9417 |
| logD: | 1.9399 |
| logSw: | -3.7295 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.788 |
| InChI Key: | HDYMFQXTFHYFKV-UHFFFAOYSA-N |