2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0119 |
| Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 401.57 |
| Molecular Formula: | C22 H31 N3 O2 S |
| Smiles: | CC(C)(C)c1ccc(CSC2NC(C3CN(CCCOC)CCC=3N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3906 |
| logD: | 2.9891 |
| logSw: | -3.6312 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.538 |
| InChI Key: | DHQGLUZZAQQENA-UHFFFAOYSA-N |