2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8008-4996 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide |
| Molecular Weight: | 605.7 |
| Molecular Formula: | C31 H23 N7 O3 S2 |
| Smiles: | C(C(Nc1ccc(cc1)c1nc2cc(ccc2o1)NC(CSc1nc2ccccc2[nH]1)=O)=O)Sc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.0429 |
| logD: | 5.0424 |
| logSw: | -5.0118 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.83 |
| InChI Key: | JTWUGPNQIZNWIC-UHFFFAOYSA-N |