Chemical ID: 4898962

CCOC(=O)C1CCN(CC1)C(=O)c2cc3c(nc4c(cccn4c3=O)C)n(c2=N)CCOC
Chemical ID:
4898962
Name [?]:
None
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)c2cc3c(nc4c(cccn4c3=O)C)n(c2=N)CCOC
InChi [?]:
InChI=1/C24H29N5O5/c1-4-34-24(32)16-7-10-27(11-8-16)22(30)17-14-18-21(28(19(17)25)12-13-33-3)26-20-15(2)6-5-9-29(20)23(18)31/h5-6,9,14,16,25H,4,7-8,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,34,2,22,21,7,11,23,8,10,31,32,15,20,6,14,16,29,19,17,12,25,4,30,18,9,28,24,13,26,5,33,3/E:(7,8)(10,11)/rA:34nCCOCOCCCNCCCOCCCCNCCCCCNCOCNCNCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;d14;s15;d16;s17;d18;s19;d20;s21;d22;s19s23;s16s24;d25;s20;s17;s14s28;w29;s28;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N5O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.2326
Area:701.486
Solvation:-5.3046
Coulombic:-82.7439
Bond Count [?]
All:37
Single:28
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:467.518
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.64
LogP (Chemaxon):2.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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