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}-2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
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}-2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
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}-2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V002-6169 |
| 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}-2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide |
| Molecular Weight: | 578.07 |
| Molecular Formula: | C30 H32 Cl N5 O5 |
| Salt: | not_available |
| Smiles: | Cn1cccc1C1CC(c2ccc3c(c2)OCO3)N(C(CN(CCN2CCOCC2)C(c2ccccc2[Cl])=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8906 |
| logD: | 3.8859 |
| logSw: | -4.2454 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.2 |
| InChI Key: | DGUCFCVXGIAACC-SANMLTNESA-N |