N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(methoxymethyl)-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(methoxymethyl)-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(methoxymethyl)-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-7582 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(methoxymethyl)-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C26 H28 N4 O5 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.5671 |
| logD: | 3.5669 |
| logSw: | -3.8326 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.533 |
| InChI Key: | YTBDXBITBCZPAI-UHFFFAOYSA-N |