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-[2-(morpholin-4-yl)ethyl]-N'-(propan-2-yl)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-[2-(morpholin-4-yl)ethyl]-N'-(propan-2-yl)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-[2-(morpholin-4-yl)ethyl]-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V006-2359 |
| 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-[2-(morpholin-4-yl)ethyl]-N'-(propan-2-yl)urea |
| Molecular Weight: | 524.62 |
| Molecular Formula: | C27 H36 N6 O5 |
| Salt: | not_available |
| Smiles: | CC(C)NC(N(CCN1CCOCC1)CC(N1C(CC(c2cccn2C)=N1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.077 |
| logD: | 2.3263 |
| logSw: | -3.2508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.589 |
| InChI Key: | DPTXEOFTWURQLS-QHCPKHFHSA-N |