N-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}-N-(oxan-4-yl)-N'-(2-phenylethyl)urea
Chemical Structure Depiction of
N-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}-N-(oxan-4-yl)-N'-(2-phenylethyl)urea
N-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}-N-(oxan-4-yl)-N'-(2-phenylethyl)urea
Compound characteristics
| Compound ID: | S329-4097 |
| Compound Name: | N-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}-N-(oxan-4-yl)-N'-(2-phenylethyl)urea |
| Molecular Weight: | 424.59 |
| Molecular Formula: | C25 H36 N4 O2 |
| Smiles: | Cn1cccc1CN1CCC(CC1)N(C1CCOCC1)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4794 |
| logD: | 2.9877 |
| logSw: | -3.5384 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.106 |
| InChI Key: | BTRGHTYCBHDXME-UHFFFAOYSA-N |