Chemical ID: 4894929

CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)OCC=C
Chemical ID:
4894929
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)OCC=C
InChi [?]:
InChI=1/C27H30N2O4/c1-4-18-32-20-14-12-19(13-15-20)24-23-25(30)21-10-7-8-11-22(21)33-26(23)27(31)29(24)17-9-16-28(5-2)6-3/h4,7-8,10-15,24H,1,5-6,9,16-18H2,2-3H3
InChi Info:
AuxInfo=1/0/N:33,1,5,32,2,4,16,17,7,15,18,25,29,26,28,6,8,31,24,27,14,19,11,10,12,21,22,3,9,13,23,30,20/E:(2,3)(5,6)(12,13)(14,15)/rA:33cCCNCCCCCNCCCOCCCCCCOCCOCCCCCCOCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s27;s30;s31;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.1556
Area:679.871
Solvation:-4.84113
Coulombic:-49.7244
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:446.538
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.01
LogP (Chemaxon):3.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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