methyl 3-{[(4-tert-butylbenzamido){[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}methylidene]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[(4-tert-butylbenzamido){[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}methylidene]amino}benzoate
methyl 3-{[(4-tert-butylbenzamido){[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}methylidene]amino}benzoate
Compound characteristics
| Compound ID: | F340-1432 |
| Compound Name: | methyl 3-{[(4-tert-butylbenzamido){[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}methylidene]amino}benzoate |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C27 H33 N5 O3 |
| Smiles: | Cc1c(CN\C(NC(c2ccc(cc2)C(C)(C)C)=O)=N/c2cccc(c2)C(=O)OC)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6477 |
| logD: | 4.5012 |
| logSw: | -4.458 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.865 |
| InChI Key: | XLDYXNSFTUABSY-UHFFFAOYSA-N |