1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3785-0219 |
| Compound Name: | 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C28 H25 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)SCc1cc(nc(n1)SCC(N1c2ccccc2CCc2ccccc12)=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.7769 |
| logD: | 6.4736 |
| logSw: | -5.429 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.449 |
| InChI Key: | KENJJEHYUMPPSK-UHFFFAOYSA-N |