N-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N'-(3-methylbutyl)urea
Chemical Structure Depiction of
N-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N'-(3-methylbutyl)urea
N-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N'-(3-methylbutyl)urea
Compound characteristics
| Compound ID: | S896-0662 |
| Compound Name: | N-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N'-(3-methylbutyl)urea |
| Molecular Weight: | 429.61 |
| Molecular Formula: | C24 H39 N5 O2 |
| Smiles: | CC(C)CCNC(NC1CCN(CC1)c1c2CCOCCc2nc(C2CCCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.452 |
| logD: | 4.381 |
| logSw: | -4.0636 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.736 |
| InChI Key: | IZUCNFANXGMYEE-UHFFFAOYSA-N |