N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F463-0012 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | C1CN(CCC1C(NCc1ccc2c(c1)OCO2)=O)c1c2c(c3cccnc3s2)ncn1 |
| Stereo: | ACHIRAL |
| logP: | 3.381 |
| logD: | 3.3497 |
| logSw: | -3.5173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.601 |
| InChI Key: | CUGKDSXDFUOFHZ-UHFFFAOYSA-N |