Chemical ID: 7075450

CCCCCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(CC)CC
Chemical ID:
7075450
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(CC)CC
InChi [?]:
InChI=1/C30H38N2O5/c1-5-8-11-19-36-24-16-15-21(20-25(24)35-4)27-26-28(33)22-13-9-10-14-23(22)37-29(26)30(34)32(27)18-12-17-31(6-2)7-3/h9-10,13-16,20,27H,5-8,11-12,17-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,37,14,2,34,36,3,21,22,4,31,20,23,9,8,32,30,5,11,10,19,24,7,12,16,15,17,26,27,33,29,18,28,13,6,25/E:(2,3)(6,7)/rA:37cCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d16s25;s26;d27;s15s27;s29;s30;s31;s32;s33;s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H38N2O5
All Atoms:75
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.3293
Area:806.876
Solvation:-6.84261
Coulombic:-55.1608
Bond Count [?]
All:40
Single:31
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:506.633
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.96
LogP (Chemaxon):4.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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