HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

3-[9-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid

HCID 178891908
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
664359-63-1
Standard SMILES
C#CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)O)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIKey
BGZZZTODHDSDGB-UHFFFAOYSA-N
Molecular formula
C30H34ClNO6
Average molar mass
540 g/mol

Names & identifiers

Preferred name
3-[9-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid
IUPAC
3-[9-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid
English name
3-(9-[3-chloro-5-methoxy-4-(2-propynyloxy)phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-10(1H)-acridinyl)propanoic acid
Molecular formula
C30H34ClNO6
Molecular weight
540.04706

Names & synonyms

3-(9-[3-chloro-5-methoxy-4-(2-propynyloxy)phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-10(1H)-acridinyl)propanoic acidAH-487/416628963-[9-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid

Database identifiers

CAS
664359-63-1

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
93.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
38
Formal charge
0
Complexity
1,070

Chemistry & industry

Suppliers1 total

SPECS[email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes