2-[(5-{[(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(5-{2-[(5-{[(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetam ide
Chemical Structure Depiction of
2-[(5-{[(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(5-{2-[(5-{[(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetam ide
2-[(5-{[(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(5-{2-[(5-{[(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetam ide
Compound characteristics
| Compound ID: | 8007-3859 |
| Compound Name: | 2-[(5-{[(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(5-{2-[(5-{[(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetam ide |
| Molecular Weight: | 681.84 |
| Molecular Formula: | C27 H27 N11 O3 S4 |
| Smiles: | CN(C)/C=N/c1nnc(SCC(Nc2ccc(cc2)c2nc3cc(ccc3o2)NC(CSc2nnc(/N=C/N(C)C)s2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8875 |
| logD: | 2.8204 |
| logSw: | -3.5282 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 131.107 |
| InChI Key: | LSBJTYBKIUOCEU-UHFFFAOYSA-N |