N-(3,4-dimethylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
N-(3,4-dimethylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F092-0391 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C21 H18 N4 O2 S3 |
| Smiles: | Cc1ccc(cc1C)NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1518 |
| logD: | 4.1502 |
| logSw: | -4.1539 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.445 |
| InChI Key: | KUALLEHWCPGHBQ-UHFFFAOYSA-N |