Compound Summary
Compound Information
O27
Compound Name: | O27 |
Compound CID: | 46870037 |
Synonyms: | O27 |
Iupac Name: | N-[(3R)-pyrrolidin-3-yl]-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-5,6,7,7a-tetrahydro-1-benzothiophene-3-carboxamide |
InChI: | InChI=1S/C23H28F3N5O2S/c24-23(25,26)20-14-5-1-3-7-16(14)31(30-20)12-18(32)29-22-19(15-6-2-4-8-17(15)34-22)21(33)28-13-9-10-27-11-13/h6,13,17,27H,1-5,7-12H2,(H,28,33)(H,29,32)/t13-,17?/m1/s1 |
InChIKey: | POWUQMZBRQWJNU-FWJOYPJLSA-N |
Canonical Smiles: | C1CCC2=C(C1)C(=NN2CC(=O)NC3=C(C4=CCCCC4S3)C(=O)NC5CCNC5)C(F)(F)F |
Isomeric Smiles: | C1CCC2=C(C1)C(=NN2CC(=O)NC3=C(C4=CCCCC4S3)C(=O)N[C@@H]5CCNC5)C(F)(F)F |
Molecular Weight: | 495.6 |
Molecular Formula: | C23H28F3N5O2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
O27
Molecular Weight: | 495.6 |
Molecular Formula: | C23H28F3N5O2S |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 34 |
Complexity: | 892 |
Synonyms
O27
Experimental Data
O27
Experimental Data Visualization
O27
Statistics Data
O27
Statistics Data Visualization
O27
