ethyl 4-methyl-2-{2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 4-methyl-2-{2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-1,3-thiazole-5-carboxylate
ethyl 4-methyl-2-{2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4570-0037 |
| Compound Name: | ethyl 4-methyl-2-{2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C20 H20 N6 O3 S2 |
| Smiles: | CCC(C(Nc1nc(C)c(C(=O)OCC)s1)=O)Sc1nc2c(c3ccccc3[nH]2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9464 |
| logD: | 3.8368 |
| logSw: | -4.1303 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.274 |
| InChI Key: | RXYSZXLVTLTPGO-ZDUSSCGKSA-N |