Chemical ID: 5280108

CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)C(C)C
Chemical ID:
5280108
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)C(C)C
InChi [?]:
InChI=1/C27H32N2O3/c1-5-28(6-2)16-9-17-29-24(20-14-12-19(13-15-20)18(3)4)23-25(30)21-10-7-8-11-22(21)32-26(23)27(29)31/h7-8,10-15,18,24H,5-6,9,16-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,31,32,2,4,16,17,7,15,18,26,28,25,29,6,8,30,27,24,14,19,11,10,12,21,22,3,9,13,23,20/E:(1,2)(3,4)(5,6)(12,13)(14,15)/rA:32cCCNCCCCCNCCCOCCCCCCOCCOCCCCCCCCC/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;s27;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32N2O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.7927
Area:649.737
Solvation:-3.45068
Coulombic:-42.0195
Bond Count [?]
All:35
Single:26
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:432.555
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.88
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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