N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 6623-1218 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 448.57 |
| Molecular Formula: | C22 H20 N6 O S2 |
| Smiles: | CCC(C(Nc1nc2ccccc2s1)=O)Sc1nc2c(c3ccccc3n2CC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.609 |
| logD: | 5.6088 |
| logSw: | -5.715 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.827 |
| InChI Key: | BAKDSTOVJIDVJQ-INIZCTEOSA-N |