6-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)[1,2]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)[1,2]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)[1,2]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | M109-0624 |
| Compound Name: | 6-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)[1,2]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C24 H22 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)c1c2c(C(N(C)C(=N2)SCC(N2CCOc3ccc(C)cc23)=O)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.2525 |
| logD: | 4.2525 |
| logSw: | -4.3206 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.555 |
| InChI Key: | DSZPKUFNSJPQDT-UHFFFAOYSA-N |