methyl 3-[(4-{[5-(diethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(4-{[5-(diethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
methyl 3-[(4-{[5-(diethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | L407-0327 |
| Compound Name: | methyl 3-[(4-{[5-(diethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C26 H31 N5 O5 |
| Smiles: | CCN(CC)C(c1ccc2c(c1)nc(CN1CCN(CC1)C(Nc1cccc(c1)C(=O)OC)=O)o2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6168 |
| logD: | 2.6075 |
| logSw: | -3.0336 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.101 |
| InChI Key: | XDTZGTQSQDSABG-UHFFFAOYSA-N |