N-{2-[5-(1-methyl-1H-pyrrol-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{2-[5-(1-methyl-1H-pyrrol-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]urea
N-{2-[5-(1-methyl-1H-pyrrol-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V014-8080 |
| Compound Name: | N-{2-[5-(1-methyl-1H-pyrrol-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 588.65 |
| Molecular Formula: | C28 H31 F3 N6 O3 S |
| Salt: | not_available |
| Smiles: | Cn1cccc1C1CC(c2cccs2)=NN1C(CN(CCN1CCOCC1)C(Nc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.434 |
| logD: | 4.0775 |
| logSw: | -4.0738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.924 |
| InChI Key: | OGYZAWOMPQVFIC-XMMPIXPASA-N |