6-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-1-(2,3-dimethylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-[(2-chlorophenyl)methyl]-1-(2,3-dimethylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8019-1159 |
| Compound Name: | 6-[(2-chlorophenyl)methyl]-1-(2,3-dimethylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Smiles: | Cc1cccc(c1C)N1C2=C(CN(Cc3ccccc3[Cl])CN2)C(NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1096 |
| logD: | 4.1064 |
| logSw: | -4.2874 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.008 |
| InChI Key: | SOHBRXNOPBGWFN-UHFFFAOYSA-N |