methyl 4-{[4-(pyrrolidin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(pyrrolidin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]amino}benzoate
methyl 4-{[4-(pyrrolidin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | S431-0401 |
| Compound Name: | methyl 4-{[4-(pyrrolidin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]amino}benzoate |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C22 H31 N3 O4 |
| Smiles: | COC(c1ccc(cc1)NC(N1CCC2(CC1)CC(CCO2)N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.453 |
| logD: | 0.2088 |
| logSw: | -2.8219 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.943 |
| InChI Key: | RULFTDFEJUKEST-LJQANCHMSA-N |