1-{6-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidin-4-yl}-N-cyclopropylpiperidine-4-carboxamide
Chemical Structure Depiction of
1-{6-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidin-4-yl}-N-cyclopropylpiperidine-4-carboxamide
1-{6-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidin-4-yl}-N-cyclopropylpiperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-1684 |
| Compound Name: | 1-{6-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidin-4-yl}-N-cyclopropylpiperidine-4-carboxamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Smiles: | C1CN(CCC1C(NC1CC1)=O)c1cc(ncn1)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5496 |
| logD: | 2.5496 |
| logSw: | -2.8963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.11 |
| InChI Key: | GRTBGHIUSJCWRH-UHFFFAOYSA-N |