6-butyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-butyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-butyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0122 |
| Compound Name: | 6-butyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 344.48 |
| Molecular Formula: | C18 H24 N4 O S |
| Smiles: | CCCCN1CC2=C(NC1)N(C(NC2=O)=S)c1cccc(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.2698 |
| logD: | 3.1412 |
| logSw: | -3.3865 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.258 |
| InChI Key: | MLIITPZTLAZPET-UHFFFAOYSA-N |