2-({3-[2-(diethylamino)ethyl]-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[4-(dimethylamino)phenyl]acetamide
Chemical Structure Depiction of
2-({3-[2-(diethylamino)ethyl]-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[4-(dimethylamino)phenyl]acetamide
2-({3-[2-(diethylamino)ethyl]-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[4-(dimethylamino)phenyl]acetamide
Compound characteristics
| Compound ID: | K286-3503 |
| Compound Name: | 2-({3-[2-(diethylamino)ethyl]-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[4-(dimethylamino)phenyl]acetamide |
| Molecular Weight: | 598.81 |
| Molecular Formula: | C28 H34 N6 O3 S3 |
| Smiles: | CCN(CC)CCN1C2=C(C(N(C(=N2)SCC(Nc2ccc(cc2)N(C)C)=O)c2ccccc2OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.4462 |
| logD: | 2.5721 |
| logSw: | -4.1336 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.511 |
| InChI Key: | YJMFFIYMSMXNCC-UHFFFAOYSA-N |