4-BENZYL-5-{[(2LAMBDA413-BENZOTHIADIAZOL-4-YL)METHYL]SULFANYL}-8-THIA-46-DIAZATRICYCLO[7.4.0.0{27}]TRIDECA-1(9)2(7)5-TRIEN-3-ONE
Chemical Structure Depiction of
4-BENZYL-5-{[(2LAMBDA413-BENZOTHIADIAZOL-4-YL)METHYL]SULFANYL}-8-THIA-46-DIAZATRICYCLO[7.4.0.0{27}]TRIDECA-1(9)2(7)5-TRIEN-3-ONE
4-BENZYL-5-{[(2LAMBDA413-BENZOTHIADIAZOL-4-YL)METHYL]SULFANYL}-8-THIA-46-DIAZATRICYCLO[7.4.0.0{27}]TRIDECA-1(9)2(7)5-TRIEN-3-ONE
Compound characteristics
| Compound ID: | 8016-2735 |
| Compound Name: | 4-BENZYL-5-{[(2LAMBDA413-BENZOTHIADIAZOL-4-YL)METHYL]SULFANYL}-8-THIA-46-DIAZATRICYCLO[7.4.0.0{27}]TRIDECA-1(9)2(7)5-TRIEN-3-ONE |
| Molecular Weight: | 476.64 |
| Molecular Formula: | C24 H20 N4 O S3 |
| Smiles: | C1CCc2c(C1)c1C(N(Cc3ccccc3)C(=Nc1s2)SCc1cccc2c1N=S=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2037 |
| logD: | 6.2037 |
| logSw: | -5.813 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.312 |
| InChI Key: | KLNQSXPWZQPYDY-UHFFFAOYSA-N |