2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[3-(piperidin-1-yl)propyl]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[3-(piperidin-1-yl)propyl]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[3-(piperidin-1-yl)propyl]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | E793-4811 |
| Compound Name: | 2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[3-(piperidin-1-yl)propyl]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 498.67 |
| Molecular Formula: | C25 H30 N4 O3 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSC1=Nc2ccsc2C(N1CCCN1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9187 |
| logD: | 2.1521 |
| logSw: | -3.8147 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.759 |
| InChI Key: | MJRXOEDHWLFEFK-UHFFFAOYSA-N |