N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carboxamide
Compound characteristics
| Compound ID: | S747-0224 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carboxamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C23 H31 N5 O5 |
| Smiles: | CC(C)c1nc(C2CCCN(CCC(NCC2)=O)C(Nc2ccc3c(c2)OCCO3)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3189 |
| logD: | 1.3189 |
| logSw: | -2.1329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.563 |
| InChI Key: | IEDAHCIBHGWLNX-INIZCTEOSA-N |