2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethan-1-one
2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethan-1-one
Compound characteristics
| Compound ID: | 4477-2495 |
| Compound Name: | 2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethan-1-one |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C26 H25 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)SCc1cc(nc(n1)SCC(n1c2CCCCc2c2ccccc12)=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.903 |
| logD: | 5.5997 |
| logSw: | -5.3088 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.532 |
| InChI Key: | KYHVSEDOVNJMGN-UHFFFAOYSA-N |