Chemical ID: 5290923

CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)OCC=C
Chemical ID:
5290923
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)OCC=C
InChi [?]:
InChI=1/C25H26N2O4/c1-4-16-30-18-12-10-17(11-13-18)22-21-23(28)19-8-5-6-9-20(19)31-24(21)25(29)27(22)15-7-14-26(2)3/h4-6,8-13,22H,1,7,14-16H2,2-3H3
InChi Info:
AuxInfo=1/0/N:31,1,3,30,14,15,5,13,16,23,27,24,26,4,6,29,22,25,12,17,9,8,10,19,20,2,7,11,21,28,18/E:(2,3)(10,11)(12,13)/rA:31cCNCCCCNCCCOCCCCCCOCCOCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s25;s28;s29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.0203
Area:636.594
Solvation:-4.89454
Coulombic:-49.3776
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:418.485
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.16
LogP (Chemaxon):3.18

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Experimental Annotations

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Descriptor Annotations

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