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MRT-10

CAT: 0127-BUP12443-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12443-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
330829-30-6
Purity
=98%
Smiles
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1

Chemical Information

N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide
CAS Number330829-30-6
PubChem CID1139102
IUPAC NameN-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Molecular FormulaC24H23N3O5S
Molecular Weight465.5
XLogP4.3
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity658
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,33)
InChIKey
KVQVEZQDNHMQJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide
CAS: 330829-30-6
CID: 1139102
Formula: C24H23N3O5S
MW: 465.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.5
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass465.13584202
Monoisotopic Mass465.13584202
Topological Polar Surface Area130 Ų
Heavy Atom Count33
Formal Charge0
Complexity658
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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