2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8008-1900 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide |
| Molecular Weight: | 639.8 |
| Molecular Formula: | C31 H21 N5 O3 S4 |
| Smiles: | C(C(Nc1ccc(cc1)c1nc2cc(ccc2o1)NC(CSc1nc2ccccc2s1)=O)=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 7.7344 |
| logD: | 7.7344 |
| logSw: | -6.1988 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.967 |
| InChI Key: | BRENLENNAPNAKH-UHFFFAOYSA-N |