N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G857-0005 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | C1CC2=C(C1)NC(N=C2SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3365 |
| logD: | 1.3334 |
| logSw: | -2.3457 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.344 |
| InChI Key: | QCBWHBNZNAMGLR-UHFFFAOYSA-N |