Chemical ID: 7075475

CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)OCC)OCCC(C)C
Chemical ID:
7075475
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)OCC)OCCC(C)C
InChi [?]:
InChI=1/C31H40N2O5/c1-6-32(7-2)17-11-18-33-28(22-14-15-25(26(20-22)36-8-3)37-19-16-21(4)5)27-29(34)23-12-9-10-13-24(23)38-30(27)31(33)35/h9-10,12-15,20-21,28H,6-8,11,16-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,32,37,38,2,4,31,16,17,7,15,18,25,26,35,6,8,34,29,36,24,14,19,27,28,11,10,12,21,22,3,9,13,23,30,33,20/E:(1,2)(4,5)(6,7)/rA:38cCCNCCCCCNCCCOCCCCCCOCCOCCCCCCOCCOCCCCC/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;s28;s30;s31;s27;s33;s34;s35;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H40N2O5
All Atoms:78
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:13.9705
Area:825.787
Solvation:-6.67418
Coulombic:-55.5159
Bond Count [?]
All:41
Single:32
Double:9
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:520.66
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.32
LogP (Chemaxon):4.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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