Chemical ID: 5284006

CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)c4ccccc4Cl)CCCOC(C)C
Chemical ID:
5284006
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)c4ccccc4Cl)CCCOC(C)C
InChi [?]:
InChI=1/C27H27ClN4O5/c1-4-36-27(35)20-16-19-23(29-22-12-7-8-13-31(22)26(19)34)32(14-9-15-37-17(2)3)24(20)30-25(33)18-10-5-6-11-21(18)28/h5-8,10-13,16-17H,4,9,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,37,2,26,27,13,14,32,25,28,12,15,31,33,7,35,24,8,6,29,11,9,20,22,17,4,30,10,21,16,19,23,18,5,3,34/E:(2,3)/rA:37nCCOCOCCCCNCCCCCNCONCNCOCCCCCCClCCCOCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s9;s6s19;w20;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;s19;s31;s32;s33;s34;s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H27ClN4O5
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:13.3829
Area:730.114
Solvation:-4.86991
Coulombic:-73.1199
Bond Count [?]
All:40
Single:28
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:522.98
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.78
LogP (Chemaxon):4.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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