1-{4-[4-({[4-(morpholin-4-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-({[4-(morpholin-4-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
1-{4-[4-({[4-(morpholin-4-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V018-7338 |
| Compound Name: | 1-{4-[4-({[4-(morpholin-4-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C25 H33 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1ccc(cc1)C(N1CCN(CC1)C(C)=O)=O)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9943 |
| logD: | 2.9938 |
| logSw: | -3.0717 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.929 |
| InChI Key: | PDIINASMKVLBJA-UHFFFAOYSA-N |