6-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8017-6964 |
| Compound Name: | 6-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | COc1ccc(CN2CC3=C(NC2)N(CCc2ccccc2)C(NC3=O)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0574 |
| logD: | 2.9161 |
| logSw: | -3.4953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.442 |
| InChI Key: | UUYUTZIRSYPMIT-UHFFFAOYSA-N |