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87152-97-4 | trans-3,4-Dihydro-6-[4-[1-[4-(phenylmethoxy)cyclohexyl]-1H-tetrazol-5-yl]butoxy]-2(1H)-quinolinone
CAS No: 87152-97-4 Catalog No: AG004KIK MDL No:
Product Description
Catalog Number:
AG004KIK
Chemical Name:
trans-3,4-Dihydro-6-[4-[1-[4-(phenylmethoxy)cyclohexyl]-1H-tetrazol-5-yl]butoxy]-2(1H)-quinolinone
CAS Number:
87152-97-4
Molecular Formula:
C27H33N5O3
Molecular Weight:
475.5826
IUPAC Name:
6-[4-[1-(4-phenylmethoxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C27H33N5O3/c33-27-16-9-21-18-24(14-15-25(21)28-27)34-17-5-4-8-26-29-30-31-32(26)22-10-12-23(13-11-22)35-19-20-6-2-1-3-7-20/h1-3,6-7,14-15,18,22-23H,4-5,8-13,16-17,19H2,(H,28,33)
InChI Key:
XRUPHZGOQSSEMF-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CC[C@H](CC1)OCc1ccccc1
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.258g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
475.593g/mol
Monoisotopic Mass:
475.258g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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