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70448-42-9 | ETHYL 2-[[2-ACETAMIDO-3-[4-[BIS(2-CHLOROETHYL)AMINO]PHENYL]PROPANOYL]AMINO]-4-METHYL-PENTANOATE
CAS No: 70448-42-9 Catalog No: AG005IWC MDL No:
Product Description
Catalog Number:
AG005IWC
Chemical Name:
ETHYL 2-[[2-ACETAMIDO-3-[4-[BIS(2-CHLOROETHYL)AMINO]PHENYL]PROPANOYL]AMINO]-4-METHYL-PENTANOATE
CAS Number:
70448-42-9
Molecular Formula:
C23H35Cl2N3O4
Molecular Weight:
488.4477
IUPAC Name:
ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoate
InChI:
InChI=1S/C23H35Cl2N3O4/c1-5-32-23(31)21(14-16(2)3)27-22(30)20(26-17(4)29)15-18-6-8-19(9-7-18)28(12-10-24)13-11-25/h6-9,16,20-21H,5,10-15H2,1-4H3,(H,26,29)(H,27,30)
InChI Key:
GBPZYMBDOBODNK-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)CC(C(=O)NC(C(=O)OCC)CC(C)C)NC(=O)C)CCCl
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.2g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
488.45g/mol
Monoisotopic Mass:
487.2g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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