D0K0VH
(Z)-7-[(1R,2R,3R,5S)-2-[(5-hydroxy-1-benzothiophene-3-carbonyl)amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Also Known As: GTPL1898|S-5751|(Z)-7-[(1R,2R,3R,5S)-2-[(5-hydroxy1-benzothiophene-3-carbonyl)amino]-7,7-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid|7(2-(5-hydroxybenzo(b)thiophen-3-ylcarbonylamino)-10-norpinan-3-yl)hept-5-enoic Acid|(Z)-7-[(1R,2R,3R,5S)-2-[(5-Hydroxy-1-benzothiophene-3-carbonyl)amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid|(Z)-7-[(1S,3R,4R,5R)-4-[(5-hydroxy-1-benzothiophene-3-carbonyl)amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
| Molecular Formula | C25H31NO4S |
|---|---|
| Molecular Weight | 441.1974 g/mol |
| LogP | 5.5887 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.1974 |
| Monoisotopic Mass | 441.1974 |
| Heavy Atoms | 31 |
| Complexity | 1008.11566 |
Chemical Identifiers
| CAS Number | 97068-30-9 |
|---|---|
| SMILES | CC1([C@H]2C[C@H]([C@H]([C@@H]1C2)NC(=O)C3=CSC4=C3C=C(C=C4)O)C/C=C\CCCC(=O)O)C |
Product Overview
D0K0VH (CAS 97068-30-9), with molecular formula C25H31NO4S and molecular weight 441.1974 g/mol. IUPAC: (Z)-7-[(1R,2R,3R,5S)-2-[(5-hydroxy-1-benzothiophene-3-carbonyl)amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid.