1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-1-yl]propan-1-one
Chemical Structure Depiction of
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-1-yl]propan-1-one
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-1-yl]propan-1-one
Compound characteristics
| Compound ID: | F513-0098 |
| Compound Name: | 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-1-yl]propan-1-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | [H]c1nc2cc(ccc2n1CCC(N1CCC2(CC1)OCCO2)=O)S(N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6721 |
| logD: | 0.6702 |
| logSw: | -2.2291 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.308 |
| InChI Key: | VXUZVOSJCVAJBB-UHFFFAOYSA-N |