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NVP-TNKS656 2mg

CAT: 0628-A15786-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A15786-2Size:2 mg
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CAS Number
1419949-20-4

Chemical Information

Nvp-tnks-656
CAS Number1419949-20-4
PubChem CID136237316
IUPAC NameN-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
Molecular FormulaC27H34N4O5
Molecular Weight494.6
XLogP1.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity911
SMILES
COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)N(CC3CC3)CC4=NC5=C(COCC5)C(=O)N4
InChI
InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)
InChIKey
DYGBNAYFDZEYBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nvp-tnks-656
CAS: 1419949-20-4
CID: 136237316
Formula: C27H34N4O5
MW: 494.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.6
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass494.25292020
Monoisotopic Mass494.25292020
Topological Polar Surface Area101 Ų
Heavy Atom Count36
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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