N'-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylsulfuric diamide
Chemical Structure Depiction of
N'-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylsulfuric diamide
N'-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylsulfuric diamide
Compound characteristics
| Compound ID: | S896-0653 |
| Compound Name: | N'-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylsulfuric diamide |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C20 H33 N5 O3 S |
| Smiles: | CN(C)S(NC1CCN(CC1)c1c2CCOCCc2nc(C2CCCC2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0333 |
| logD: | 2.9623 |
| logSw: | -3.2897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.34 |
| InChI Key: | OOLCPAQFJDSHNQ-UHFFFAOYSA-N |