N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
Compound ID: | V025-3215 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide |
Molecular Weight: | 533.69 |
Molecular Formula: | C29 H35 N5 O3 S |
Salt: | not_available |
Smiles: | CCN1CCN(CC1)c1cc(C(C)C)nc(n1)SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 5.1716 |
logD: | 4.4841 |
logSw: | -5.0127 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.242 |
InChI Key: | IWPCLPBVZBQZJX-UHFFFAOYSA-N |