2-{[3-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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: | G856-1244 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-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: | 482.97 |
| Molecular Formula: | C21 H15 Cl N6 O2 S2 |
| Smiles: | Cc1nnc(NC(CSC2=Nc3c4ccccc4[nH]c3C(N2c2ccc(cc2)[Cl])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4698 |
| logD: | 3.445 |
| logSw: | -3.9227 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.618 |
| InChI Key: | DTTRPOPCIFWBQW-UHFFFAOYSA-N |