3-(4-chlorobenzene-1-sulfonyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
3-(4-chlorobenzene-1-sulfonyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
3-(4-chlorobenzene-1-sulfonyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
Compound characteristics
Compound ID: | E565-0987 |
Compound Name: | 3-(4-chlorobenzene-1-sulfonyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine |
Molecular Weight: | 491.97 |
Molecular Formula: | C20 H18 Cl N5 O4 S2 |
Smiles: | C1CN(CCC12OCCO2)c1c2c(ccs2)n2c(c(nn2)S(c2ccc(cc2)[Cl])(=O)=O)n1 |
Stereo: | ACHIRAL |
logP: | 3.7734 |
logD: | 3.7734 |
logSw: | -4.3618 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 80.583 |
InChI Key: | INFJRKQRJFVTHJ-UHFFFAOYSA-N |