N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Chemical Structure Depiction of
N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Compound characteristics
| Compound ID: | F881-0286 |
| Compound Name: | N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C26 H25 N3 O3 S2 |
| Smiles: | CC1C=CC2=NC(CSc3ccccc3NS(c3ccc4CCCCc4c3)(=O)=O)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7289 |
| logD: | 4.6971 |
| logSw: | -4.5124 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.345 |
| InChI Key: | STIJQYLFMUTLAH-UHFFFAOYSA-N |