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-methylurea
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-methylurea
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-methylurea
Compound characteristics
| Compound ID: | V006-2351 |
| 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-methylurea |
| Molecular Weight: | 429.95 |
| Molecular Formula: | C22 H28 Cl N5 O2 |
| Smiles: | CC(C)(C)NC(N(C)CC(N1C(CC(c2cccn2C)=N1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4577 |
| logD: | 4.4577 |
| logSw: | -4.8972 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.664 |
| InChI Key: | DUHOTQZTFJNHBV-IBGZPJMESA-N |