4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-propyl-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-propyl-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-propyl-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | L862-0239 |
| Compound Name: | 4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-propyl-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Smiles: | CCCN1C(c2c(nc(N3CCCC3)s2)N(CC(N2CCOc3ccc(C)cc23)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9037 |
| logD: | 3.9037 |
| logSw: | -3.8341 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.447 |
| InChI Key: | QIPVOLNKRHTWSW-UHFFFAOYSA-N |