methyl 4-({4-[(morpholin-4-yl)methyl]azepane-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({4-[(morpholin-4-yl)methyl]azepane-1-carbonyl}amino)benzoate
methyl 4-({4-[(morpholin-4-yl)methyl]azepane-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | S535-0419 |
| Compound Name: | methyl 4-({4-[(morpholin-4-yl)methyl]azepane-1-carbonyl}amino)benzoate |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C20 H29 N3 O4 |
| Smiles: | COC(c1ccc(cc1)NC(N1CCCC(CC1)CN1CCOCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3011 |
| logD: | 1.8564 |
| logSw: | -2.8184 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.854 |
| InChI Key: | ANJNETNULRFGIY-MRXNPFEDSA-N |