2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | G856-1350 |
| Compound Name: | 2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C18 H18 N6 O2 S3 |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1nnc(SCC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6295 |
| logD: | 3.6282 |
| logSw: | -3.9686 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.781 |
| InChI Key: | YFUBFBKGUOPUTF-UHFFFAOYSA-N |