propan-2-yl 4-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
propan-2-yl 4-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
propan-2-yl 4-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0840 |
| Compound Name: | propan-2-yl 4-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C22 H21 N O5 |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(C1C=COc2ccc(cc2C=1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.781 |
| logD: | 4.7808 |
| logSw: | -4.5908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.931 |
| InChI Key: | VMRSXWBAFQZQSI-UHFFFAOYSA-N |