methyl 2-(2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L387-5989 |
| Compound Name: | methyl 2-(2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C22 H25 N5 O4 S2 |
| Smiles: | CCN(CC)c1nc2c(C(N(CC=C)C(=N2)SCC(Nc2ccccc2C(=O)OC)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.838 |
| logD: | 3.8297 |
| logSw: | -3.9534 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.779 |
| InChI Key: | RVBJHUWRGCHOMN-UHFFFAOYSA-N |