N-(adamantan-1-yl)-N'-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
Chemical Structure Depiction of
N-(adamantan-1-yl)-N'-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
N-(adamantan-1-yl)-N'-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E983-1425 |
| Compound Name: | N-(adamantan-1-yl)-N'-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea |
| Molecular Weight: | 407.56 |
| Molecular Formula: | C25 H33 N3 O2 |
| Smiles: | Cc1cc(CNC(NC23CC4CC(CC(C4)C3)C2)=O)c(C)n1c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6518 |
| logD: | 4.6518 |
| logSw: | -4.4559 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.09 |
| InChI Key: | CSAMWJZLZQKDBH-UHFFFAOYSA-N |