767310-49-6
1-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
Name1-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
1Identification
【Name】
1-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05720881
【English Synonyms】
【Formula】
C26 H27 N3 O2 S
【MolWeight】
445.584
【Inchi】
InChI=1S/C26H27N3O2S/c1-18-8-7-10-20(16-18)25(30)31-24-15-14-19-9-5-6-13-22(19)23(24)17-27-29-26(32)28-21-11-3-2-4-12-21/h5-10,13-17,21H,2-4,11-12H2,1H3,(H2,28,29,32)/b27-17+
【InChIKey】
InChIKey=BXFYKVKEXOBKLH-WPWMEQJKSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)NC4CCCCC4
【MOL File】
1-(2-((CYCLOHEXYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE.cml