200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 24868-64-2
24868-64-2 | 1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(phenylmethyl)-, (2Z)-2-butenedioate (1:1)
CAS No: 24868-64-2 Catalog No: AG002PPL MDL No:
Product Description
Catalog Number:
AG002PPL
Chemical Name:
1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(phenylmethyl)-, (2Z)-2-butenedioate (1:1)
CAS Number:
24868-64-2
Molecular Formula:
C27H30N2O7S
Molecular Weight:
526.6013
IUPAC Name:
4-benzyl-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one;but-2-enedioic acid
InChI:
InChI=1S/C23H26N2O3S.C4H4O4/c26-22-17-29-23(25(22)14-18-6-2-1-3-7-18)10-12-24(13-11-23)15-19-16-27-20-8-4-5-9-21(20)28-19;5-3(6)1-2-4(7)8/h1-9,19H,10-17H2;1-2H,(H,5,6)(H,7,8)
InChI Key:
UCQUYPSUMWOMMZ-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1Cc1ccccc1)CCN(CC2)CC1COc2c(O1)cccc2.OC(=O)/C=C\C(=O)O
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.177g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
526.604g/mol
Monoisotopic Mass:
526.177g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.