2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-{[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-{[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-{[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | 8010-1052 |
| Compound Name: | 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-{[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 579.78 |
| Molecular Formula: | C27 H25 N5 O2 S4 |
| Smiles: | CC(C(Nc1ccc2c(c1)sc(n2)SCC(n1c2CCCCc2c2ccccc12)=O)=O)Sc1nnc(C)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9629 |
| logD: | 5.9628 |
| logSw: | -5.5606 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.6 |
| InChI Key: | NUNIPHROEHTAIJ-HNNXBMFYSA-N |