N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8010-2759 |
| Compound Name: | N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 634.8 |
| Molecular Formula: | C33 H26 N6 O2 S3 |
| Smiles: | C1CN(C(CSc2nc3ccc(cc3s2)NC(CSc2nnc(c3ccccc3)n2c2ccccc2)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.7787 |
| logD: | 6.7787 |
| logSw: | -6.0506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.095 |
| InChI Key: | BLYQJEZDMOTXNC-UHFFFAOYSA-N |