2,2-dimethyl-9-(2-phenylethyl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8(9H)-one
Chemical Structure Depiction of
2,2-dimethyl-9-(2-phenylethyl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8(9H)-one
2,2-dimethyl-9-(2-phenylethyl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8(9H)-one
Compound characteristics
| Compound ID: | IB08-4190 |
| Compound Name: | 2,2-dimethyl-9-(2-phenylethyl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8(9H)-one |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H27 N5 O2 S |
| Smiles: | CC1(C)Cc2c(CO1)c(nc1c2c2c(C(N(CCc3ccccc3)N=N2)=O)s1)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.74 |
| logD: | 5.74 |
| logSw: | -6.44 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 92.9 |
| InChI Key: | OYZMBPLKWFZMIN-UHFFFAOYSA-N |