methyl 4-{[(1-benzyl-7-oxoazepan-4-yl)methyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 4-{[(1-benzyl-7-oxoazepan-4-yl)methyl]carbamamido}benzoate
methyl 4-{[(1-benzyl-7-oxoazepan-4-yl)methyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | T831-0330 |
| Compound Name: | methyl 4-{[(1-benzyl-7-oxoazepan-4-yl)methyl]carbamamido}benzoate |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C23 H27 N3 O4 |
| Smiles: | COC(c1ccc(cc1)NC(NCC1CCC(N(CC1)Cc1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4047 |
| logD: | 3.4046 |
| logSw: | -3.646 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.265 |
| InChI Key: | JXPANIYCLBXUTB-QGZVFWFLSA-N |