2-(diethylamino)-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-(prop-2-en-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
2-(diethylamino)-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-(prop-2-en-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
2-(diethylamino)-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-(prop-2-en-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | L387-6062 |
| Compound Name: | 2-(diethylamino)-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-(prop-2-en-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 485.63 |
| Molecular Formula: | C23 H27 N5 O3 S2 |
| Smiles: | CCN(CC)c1nc2c(C(N(CC=C)C(=N2)SCC(N2CCOc3ccc(C)cc23)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3613 |
| logD: | 4.3613 |
| logSw: | -4.3045 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.162 |
| InChI Key: | VKWAPEDLQWUQFI-UHFFFAOYSA-N |