200,000+ products from a single source!
sales@angenechem.com
114703-77-4 | 3(4H)-Quinazolineacetic acid, 2-amino-6-[4-(cyclohexylmethylamino)-4-oxobutoxy]-
CAS No: 114703-77-4 Catalog No: AG000F2Z MDL No:
Product Description
Catalog Number:
AG000F2Z
Chemical Name:
3(4H)-Quinazolineacetic acid, 2-amino-6-[4-(cyclohexylmethylamino)-4-oxobutoxy]-
CAS Number:
114703-77-4
Molecular Formula:
C21H30N4O4
Molecular Weight:
402.4873
IUPAC Name:
2-[2-amino-6-[4-(cyclohexylmethylamino)-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid
InChI:
InChI=1S/C21H30N4O4/c22-21-24-18-9-8-17(11-16(18)13-25(21)14-20(27)28)29-10-4-7-19(26)23-12-15-5-2-1-3-6-15/h8-9,11,15H,1-7,10,12-14H2,(H2,22,24)(H,23,26)(H,27,28)
InChI Key:
XVDFDDQSLQGAKJ-UHFFFAOYSA-N
SMILES:
O=C(NCC1CCCCC1)CCCOc1ccc2c(c1)CN(C(=N2)N)CC(=O)O
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.227g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
402.495g/mol
Monoisotopic Mass:
402.227g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.