Chemical ID: 5702392

CC1(CC(=C2C(N(c3ccccc3N=C2C1)C(=O)Cc4ccccc4)c5ccccc5Cl)O)C
Chemical ID:
5702392
Name [?]:
None
SMILES [?]:
CC1(CC(=C2C(N(c3ccccc3N=C2C1)C(=O)Cc4ccccc4)c5ccccc5Cl)O)C
InChi [?]:
InChI=1/C29H27ClN2O2/c1-29(2)17-23-27(25(33)18-29)28(20-12-6-7-13-21(20)30)32(24-15-9-8-14-22(24)31-23)26(34)16-19-10-4-3-5-11-19/h3-15,28,33H,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,34,23,22,24,28,29,11,10,21,25,27,30,12,9,19,16,3,20,26,31,13,15,8,4,17,5,6,2,32,14,7,33,18/E:(1,2)(4,5)(10,11)/rA:34cCCCCCCNCCCCCCNCCCOCCCCCCCCCCCCCClOC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s5d14;s2s15;s7;d17;s17;s19;s20;d21;s22;d23;d20s24;s6;s26;d27;s28;d29;d26s30;s31;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H27ClN2O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.3406
Area:632.813
Solvation:-3.47974
Coulombic:-40.318
Bond Count [?]
All:38
Single:26
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:470.99
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.64
LogP (Chemaxon):6.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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