N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-ethyl-N-(2-methoxyethyl)urea
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-ethyl-N-(2-methoxyethyl)urea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-ethyl-N-(2-methoxyethyl)urea
Compound characteristics
| Compound ID: | V026-2272 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-ethyl-N-(2-methoxyethyl)urea |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C23 H29 N5 O5 |
| Smiles: | CCNC(N(CCOC)CC(N1C(CC(c2cccn2C)=N1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.834 |
| logD: | 2.8339 |
| logSw: | -3.2477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.963 |
| InChI Key: | QUQRZQIRDOQPSH-IBGZPJMESA-N |