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Home > Fluorides > 136701-68-3
136701-68-3 | 1H,4H-[1,2,5]Thiadiazolo[4,3,2-ij]quinoline, 1-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-, 2,2-dioxide
CAS No: 136701-68-3 Catalog No: AG00128I MDL No:
Product Description
Catalog Number:
AG00128I
Chemical Name:
1H,4H-[1,2,5]Thiadiazolo[4,3,2-ij]quinoline, 1-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-, 2,2-dioxide
CAS Number:
136701-68-3
Molecular Formula:
C25H29FN4O2S
Molecular Weight:
468.5868
IUPAC Name:
3-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-2λ6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide
InChI:
InChI=1S/C25H29FN4O2S/c26-21-6-7-23-22(16-21)20(17-27-23)15-18-8-11-28(12-9-18)13-14-29-24-5-1-3-19-4-2-10-30(25(19)24)33(29,31)32/h1,3,5-7,16-18,27H,2,4,8-15H2
InChI Key:
NZUSTSFFNOEAHE-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(c[nH]2)CC1CCN(CC1)CCN1c2cccc3c2N(S1(=O)=O)CCC3
Properties
Complexity:
799
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.2g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
468.591g/mol
Monoisotopic Mass:
468.2g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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