Chemical ID: 4625862

CC(C)Oc1ccc(cc1)C2N3C(CC(=N3)c4ccccc4)c5ccccc5O2
Chemical ID:
4625862
Name [?]:
None
SMILES [?]:
CC(C)Oc1ccc(cc1)C2N3C(CC(=N3)c4ccccc4)c5ccccc5O2
InChi [?]:
InChI=1/C25H24N2O2/c1-17(2)28-20-14-12-19(13-15-20)25-27-23(21-10-6-7-11-24(21)29-25)16-22(26-27)18-8-4-3-5-9-18/h3-15,17,23,25H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,21,25,26,18,22,24,27,7,9,6,10,14,2,17,8,5,23,15,13,28,11,16,12,4,29/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:29cCCCOCCCCCCCNCCCNCCCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s12d15;s15;s17;d18;s19;d20;d17s21;s13;s23;d24;s25;d26;d23s27;s11s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:3
ZAP Information [?]
Total:10.8584
Area:602.127
Solvation:-4.19479
Coulombic:-24.4967
Bond Count [?]
All:33
Single:23
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:384.47
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.21
LogP (Chemaxon):5.57

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Descriptor Annotations

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