2-{[(3-bromophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
2-{[(3-bromophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0129 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 424.36 |
| Molecular Formula: | C18 H22 Br N3 O2 S |
| Smiles: | COCCCN1CCC2=C(C1)C(NC(=N2)SCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5846 |
| logD: | 2.1832 |
| logSw: | -2.929 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.538 |
| InChI Key: | YDKKPRUOFQFTPJ-UHFFFAOYSA-N |