Chemical ID: 7075548

CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)OC)OCc5ccccc5
Chemical ID:
7075548
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)OC)OCc5ccccc5
InChi [?]:
InChI=1/C30H30N2O5/c1-31(2)16-9-17-32-27(26-28(33)22-12-7-8-13-23(22)37-29(26)30(32)34)21-14-15-24(25(18-21)35-3)36-19-20-10-5-4-6-11-20/h4-8,10-15,18,27H,9,16-17,19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,29,35,34,36,14,15,5,33,37,13,16,23,24,4,6,27,31,32,22,12,17,25,26,9,8,10,19,20,2,7,11,21,28,30,18/E:(1,2)(5,6)(10,11)/rA:37cCNCCCCNCCCOCCCCCCOCCOCCCCCCOCOCCCCCCC/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;s26;s28;s25;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H30N2O5
All Atoms:67
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:11.6885
Area:761.541
Solvation:-7.35005
Coulombic:-55.6018
Bond Count [?]
All:41
Single:29
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:498.57
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.9
LogP (Chemaxon):3.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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