N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4,5-dimethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4,5-dimethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4,5-dimethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-8175 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4,5-dimethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCOCC1)SCc1cccc(c1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.328 |
| logD: | 4.3263 |
| logSw: | -4.2828 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.66 |
| InChI Key: | FPWGTVGNVNQPKR-UHFFFAOYSA-N |