1-{4-[4-({[4-(4-ethylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-({[4-(4-ethylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
1-{4-[4-({[4-(4-ethylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V027-2473 |
| Compound Name: | 1-{4-[4-({[4-(4-ethylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C26 H36 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1cc(COC)nc(n1)SCc1ccc(cc1)C(N1CCN(CC1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0328 |
| logD: | 1.3453 |
| logSw: | -2.372 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.476 |
| InChI Key: | SFBYBVJKYNRNOF-UHFFFAOYSA-N |