Chemical ID: 4683384

CCN(CC)c1ccc2c(c1)Oc3cc(c(cc3C24c5ccccc5C(=O)O4)Nc6ccccc6)C
Chemical ID:
4683384
Name [?]:
None
SMILES [?]:
CCN(CC)c1ccc2c(c1)Oc3cc(c(cc3C24c5ccccc5C(=O)O4)Nc6ccccc6)C
InChi [?]:
InChI=1/C31H28N2O3/c1-4-33(5-2)22-15-16-25-29(18-22)35-28-17-20(3)27(32-21-11-7-6-8-12-21)19-26(28)31(25)24-14-10-9-13-23(24)30(34)36-31/h6-19,32H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,36,2,4,33,32,34,23,22,31,35,24,21,7,8,14,11,17,15,30,6,25,20,9,18,16,13,10,26,19,29,3,27,12,28/E:(1,2)(4,5)(7,8)(11,12)/rA:36cCCNCCCCCCCCOCCCCCCCCCCCCCCOONCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s15;d16;d13s17;s9s18;s19;s20;d21;s22;d23;d20s24;s25;d26;s19s26;s16;s29;s30;d31;s32;d33;d30s34;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H28N2O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:13.3199
Area:675.822
Solvation:-3.57563
Coulombic:-48.3198
Bond Count [?]
All:41
Single:28
Double:13
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:476.566
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.14
LogP (Chemaxon):7.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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