Chemical ID: 4625567

CC(C)(C)c1ccc(cc1)C2N3C(CC(=N3)c4ccc(cc4)OC)c5ccccc5O2
Chemical ID:
4625567
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2N3C(CC(=N3)c4ccc(cc4)OC)c5ccccc5O2
InChi [?]:
InChI=1/C27H28N2O2/c1-27(2,3)20-13-9-19(10-14-20)26-29-24(22-7-5-6-8-25(22)31-26)17-23(28-29)18-11-15-21(30-4)16-12-18/h5-16,24,26H,17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,24,27,28,26,29,7,9,18,22,6,10,19,21,14,17,8,5,20,25,15,13,30,11,2,16,12,23,31/E:(1,2,3)(9,10)(11,12)(13,14)(15,16)/rA:31cCCCCCCCCCCCNCCCNCCCCCCOCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s12d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s13;s25;d26;s27;d28;d25s29;s11s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N2O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:3
ZAP Information [?]
Total:11.5343
Area:641.644
Solvation:-4.50681
Coulombic:-24.4097
Bond Count [?]
All:35
Single:25
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:412.523
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.14
LogP (Chemaxon):6.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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