6-cyclopentyl-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-cyclopentyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-cyclopentyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0132 |
| Compound Name: | 6-cyclopentyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C19 H24 N4 O S |
| Smiles: | Cc1cccc(c1C)N1C2=C(CN(CN2)C2CCCC2)C(NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2503 |
| logD: | 3.0465 |
| logSw: | -3.4801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.927 |
| InChI Key: | BAIFGKXJFKCYFV-UHFFFAOYSA-N |