Molecular Structure:
CCD No.:CCD00217239
VITAS-BB TBB022397
Formula:C25H19BrN2O5S
MolWeight:539.404
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| Product Name： | VITAS-BB TBB022397 |
| English Synonyms： | VITAS-BB TBB022397 |
| MDL Number.： | MFCD01341235 |
| H bond acceptor： | 7 |
| H bond donor： | 1 |
| Smile： | COC(=O)C1=C(C)C(C(=O)OC)=C(NC(=O)C2=C3C=CC=CC3=NC(=C2)C2=CC(Br)=CC=C2)S1 |
| InChi： | InChI=1S/C25H19BrN2O5S/c1-13-20(24(30)32-2)23(34-21(13)25(31)33-3)28-22(29)17-12-19(14-7-6-8-15(26)11-14)27-18-10-5-4-9-16(17)18/h4-12H,1-3H3,(H,28,29) |
| InChiKey： | InChIKey=OMGZHYLQLGGFKA-UHFFFAOYSA-N |
Basic Information
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