1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F798-0175 |
| Compound Name: | 1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C21 H21 N5 O3 S2 |
| Smiles: | CCCN1C(c2c(ccs2)n2c1nnc2SCC(N1CCOc2ccc(C)cc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5427 |
| logD: | 3.5427 |
| logSw: | -3.6884 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.589 |
| InChI Key: | DRBJQRGYCWJFMQ-UHFFFAOYSA-N |