1,3,6-trimethyl-5-{4-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,3,6-trimethyl-5-{4-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}pyrimidine-2,4(1H,3H)-dione
1,3,6-trimethyl-5-{4-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | F667-0255 |
| Compound Name: | 1,3,6-trimethyl-5-{4-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CC1=C(C(N(C)C(N1C)=O)=O)N1CCN(CC1)C(c1ccc(CSCc2cccc(C)c2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2098 |
| logD: | 4.2095 |
| logSw: | -4.2484 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.239 |
| InChI Key: | AJBCGMRWYCBWKU-UHFFFAOYSA-N |