2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8012-6434 |
| Compound Name: | 2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one |
| Molecular Weight: | 520.07 |
| Molecular Formula: | C27 H22 Cl N3 O2 S2 |
| Smiles: | C1Cc2ccccc2N(C(CSc2nc(CSc3ccc(cc3)[Cl])cc(n2)O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.9482 |
| logD: | 6.645 |
| logSw: | -6.0802 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.449 |
| InChI Key: | KSJBTVLLXPIOAA-UHFFFAOYSA-N |