1,7,7-trimethyl-4-(3-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1,7,7-trimethyl-4-(3-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1,7,7-trimethyl-4-(3-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 8015-4879 |
| Compound Name: | 1,7,7-trimethyl-4-(3-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | Cc1cccc(c1)N1C(c2c3CC(C)(C)OCc3sc2n2c(C)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2072 |
| logD: | 3.2072 |
| logSw: | -3.2822 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.236 |
| InChI Key: | SJXONFCOFLBETN-UHFFFAOYSA-N |