4-(3-methylbutyl)-1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-(3-methylbutyl)-1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(3-methylbutyl)-1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F798-0242 |
| Compound Name: | 4-(3-methylbutyl)-1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C23 H25 N5 O3 S2 |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c1nnc2SCC(N1CCOc2ccc(C)cc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.332 |
| logD: | 4.332 |
| logSw: | -4.2683 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.589 |
| InChI Key: | DNCVKTCXMNVXDC-UHFFFAOYSA-N |