2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | G856-0990 |
| Compound Name: | 2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C22 H18 N6 O3 S2 |
| Smiles: | Cc1nnc(NC(CSC2=Nc3c4ccccc4[nH]c3C(N2c2cccc(c2)OC)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.039 |
| logD: | 3.0141 |
| logSw: | -3.4976 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.162 |
| InChI Key: | HZXYHSSCGVYSTK-UHFFFAOYSA-N |