N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-0737 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C17 H16 N6 O2 S3 |
| Smiles: | CCSc1nnc(NC(CSC2=Nc3c4ccccc4[nH]c3C(N2C)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0796 |
| logD: | 3.0783 |
| logSw: | -3.3214 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.822 |
| InChI Key: | DHOUQQVUBWJTGH-UHFFFAOYSA-N |