1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-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-benzotriazol-1-yl]propan-1-one
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propan-1-one
Compound characteristics
| Compound ID: | F514-0098 |
| Compound Name: | 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propan-1-one |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C20 H27 N5 O5 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCC(N1CCC2(CC1)OCCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3203 |
| logD: | 0.3203 |
| logSw: | -2.1882 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.549 |
| InChI Key: | GHIXFCHXCIUJQA-UHFFFAOYSA-N |