methyl 4-[(4-{5-[4-(methoxycarbonyl)benzamido]-1,3-benzoxazol-2-yl}phenyl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 4-[(4-{5-[4-(methoxycarbonyl)benzamido]-1,3-benzoxazol-2-yl}phenyl)carbamoyl]benzoate
methyl 4-[(4-{5-[4-(methoxycarbonyl)benzamido]-1,3-benzoxazol-2-yl}phenyl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | 0478-0719 |
| Compound Name: | methyl 4-[(4-{5-[4-(methoxycarbonyl)benzamido]-1,3-benzoxazol-2-yl}phenyl)carbamoyl]benzoate |
| Molecular Weight: | 549.54 |
| Molecular Formula: | C31 H23 N3 O7 |
| Smiles: | COC(c1ccc(cc1)C(Nc1ccc(cc1)c1nc2cc(ccc2o1)NC(c1ccc(cc1)C(=O)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5591 |
| logD: | 5.5574 |
| logSw: | -5.5374 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.579 |
| InChI Key: | PMHIVEGTIGDIAT-UHFFFAOYSA-N |