N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-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-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1376 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C19 H18 N6 O2 S3 |
| Smiles: | CCSc1nnc(NC(CSC2=Nc3c4ccccc4[nH]c3C(N2CC=C)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8154 |
| logD: | 3.8141 |
| logSw: | -4.0318 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.035 |
| InChI Key: | NFDYDKKWRVHXDW-UHFFFAOYSA-N |