N'-tert-butyl-N-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]urea
Chemical Structure Depiction of
N'-tert-butyl-N-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]urea
N'-tert-butyl-N-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]urea
Compound characteristics
| Compound ID: | V006-4713 |
| Compound Name: | N'-tert-butyl-N-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]urea |
| Molecular Weight: | 529.08 |
| Molecular Formula: | C27 H37 Cl N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N(CCN1CCOCC1)CC(N1C(CC(c2cccn2C)=N1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1573 |
| logD: | 3.4066 |
| logSw: | -4.6863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.323 |
| InChI Key: | CSTFZYOARCXWIE-DEOSSOPVSA-N |