ethyl 4-(2H-1,3-benzodioxol-5-yl)-3-[(4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-3-[(4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-3-[(4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V012-0575 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-3-[(4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 503.35 |
| Molecular Formula: | C22 H23 Br N4 O5 |
| Salt: | not_available |
| Smiles: | CCn1c(C(Nc2c(cn(C)c2C(=O)OCC)c2ccc3c(c2)OCO3)=O)c(c(C)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0156 |
| logD: | 1.5842 |
| logSw: | -3.2427 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.925 |
| InChI Key: | VXOUORVAWGDUGT-UHFFFAOYSA-N |