1-ethyl-3-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-[(thiophen-2-yl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
1-ethyl-3-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-[(thiophen-2-yl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
1-ethyl-3-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-[(thiophen-2-yl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-1354 |
| Compound Name: | 1-ethyl-3-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-[(thiophen-2-yl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C24 H25 N5 O3 S2 |
| Smiles: | CCn1c2C(N(Cc3cccs3)C(=Nc2c(C)n1)SCC(N1CCOc2ccc(C)cc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.158 |
| logD: | 3.158 |
| logSw: | -3.2113 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.465 |
| InChI Key: | RZLXJOFFBHMQTA-UHFFFAOYSA-N |