2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-1H-isoindole-1,3(2H)-dione
2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3448-4538 |
| Compound Name: | 2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 516.55 |
| Molecular Formula: | C25 H16 N4 O5 S2 |
| Smiles: | C1CN(C(CSc2nc3ccc(cc3s2)N2C(c3cccc(c3C2=O)[N+]([O-])=O)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.7955 |
| logD: | 3.7955 |
| logSw: | -4.2959 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.193 |
| InChI Key: | BVANMZQXUATTPV-UHFFFAOYSA-N |