methyl 4-({7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}amino)benzoate
methyl 4-({7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | T634-0058 |
| Compound Name: | methyl 4-({7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}amino)benzoate |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C23 H27 N3 O5 |
| Smiles: | COC(c1ccc(cc1)NC(N1CCOc2ccc(CN3CCOCC3)cc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6963 |
| logD: | 2.6344 |
| logSw: | -3.1628 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.467 |
| InChI Key: | IUNHHKQTJLDPFL-UHFFFAOYSA-N |