4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-2-methyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-2-methyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-2-methyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 8017-7899 |
| Compound Name: | 4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-2-methyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 523.7 |
| Molecular Formula: | C25 H25 N5 O2 S3 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(CSc2nnc(N)s2)c(C)s1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2233 |
| logD: | 2.5157 |
| logSw: | -4.4428 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.422 |
| InChI Key: | AUIIZLJHYBBTRF-QFIPXVFZSA-N |