N,N-diethyl-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-diethyl-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N,N-diethyl-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F092-0234 |
| Compound Name: | N,N-diethyl-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C18 H20 N4 O2 S3 |
| Smiles: | CCN(CC)C(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8574 |
| logD: | 2.8558 |
| logSw: | -3.2664 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.671 |
| InChI Key: | HJWNZKUBZLNFAU-UHFFFAOYSA-N |