4-hydroxy-3-[(7S)-7-(2-hydroxyphenyl)-3-sulfanylidene-1,2,4,7-tetrahydro-1,2,4-triazepin-5-yl]-1-methylquinolin-2-one
AlkaPlorer ID: AK266539
Synonym: None
IUPAC Name: 4-hydroxy-3-[(7S)-7-(2-hydroxyphenyl)-3-sulfanylidene-1,2,4,7-tetrahydro-1,2,4-triazepin-5-yl]-1-methylquinolin-2-one
Structure
SMILES: CN1C(=O)C(C2=C[C@@H](C3=CC=CC=C3O)NNC(=S)N2)=C(O)C2=CC=CC=C21
InChI: InChI=1S/C20H18N4O3S/c1-24-15-8-4-2-7-12(15)18(26)17(19(24)27)14-10-13(22-23-20(28)21-14)11-6-3-5-9-16(11)25/h2-10,13,22,25-26H,1H3,(H2,21,23,28)/t13-/m0/s1
InChIKey: YFXDSVGZJBPXFL-ZDUSSCGKSA-N
Source
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Properties Information
Molecule Weight: 394.4560000000001
TPSA？: 98.55
MolLogP？: 2.0142
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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