Chemical ID: 3965391

CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C
Chemical ID:
3965391
Name [?]:
4-(5,5,8,8-tetramethyltetralin-2-yl)carbonylaminobenzoic acid
SMILES [?]:
CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C
InChi [?]:
InChI=1/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,26,24,25,17,19,9,16,20,8,3,4,11,18,10,15,7,6,12,21,2,5,14,13,22,23/E:(1,2)(3,4)(5,6)(8,9)(25,26)/rA:26nCCCCCCCCCCCCONCCCCCCCOOCCC/rB:s1;s2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s5;s5;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25NO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5737
Area:564.269
Solvation:-2.53305
Coulombic:-51.507
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:351.439
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.9
LogP (Chemaxon):5.37

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