(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-1,5-diazacycloundecane-1-carbonyl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-1,5-diazacycloundecane-1-carbonyl)pyrrolidine-1-carboxamide
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-1,5-diazacycloundecane-1-carbonyl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | S783-0220 |
| Compound Name: | (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-1,5-diazacycloundecane-1-carbonyl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C23 H32 N4 O5 |
| Smiles: | C1CCCN(CCC(NCC1)=O)C([C@@H]1CCCN1C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.3084 |
| logD: | 0.3084 |
| logSw: | -1.8602 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.593 |
| InChI Key: | MRCMNKUOGZYHAQ-SFHVURJKSA-N |