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119221-49-7 | 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-8-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-, hydrochloride (1:3)
CAS No: 119221-49-7 Catalog No: AG000IEY MDL No:
Product Description
Catalog Number:
AG000IEY
Chemical Name:
2H-[1]Benzothiopyrano[4,3,2-cd]indazol-8-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-, hydrochloride (1:3)
CAS Number:
119221-49-7
Molecular Formula:
C21H30Cl3N5OS
Molecular Weight:
506.9198
IUPAC Name:
10-(2-aminoethylamino)-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,6,9,11,13(16)-hexaen-5-one
InChI:
InChI=1S/C21H27N5OS/c1-3-25(4-2)11-12-26-17-8-7-16(23-10-9-22)21-19(17)20(24-26)15-6-5-14(27)13-18(15)28-21/h5-8,13,23-24H,3-4,9-12,22H2,1-2H3
InChI Key:
IMMFHFBXRWAZGX-UHFFFAOYSA-N
SMILES:
NCCNc1ccc2c3c1sc1cc(O)ccc1c3nn2CCN(CC)CC.Cl.Cl.Cl
UNII:
8HBT2JRJ5T
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.194g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
397.541g/mol
Monoisotopic Mass:
397.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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