Chemical ID: 4897663

CCCn1c2c(cc(c1=NC(=O)c3ccncc3)C(=O)OCC)c(=O)n4cccc(c4n2)C
Chemical ID:
4897663
Name [?]:
None
SMILES [?]:
CCCn1c2c(cc(c1=NC(=O)c3ccncc3)C(=O)OCC)c(=O)n4cccc(c4n2)C
InChi [?]:
InChI=1/C24H23N5O4/c1-4-12-28-20-17(23(31)29-13-6-7-15(3)19(29)26-20)14-18(24(32)33-5-2)21(28)27-22(30)16-8-10-25-11-9-16/h6-11,13-14H,4-5,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,33,2,22,28,29,14,18,15,17,3,27,7,30,13,6,8,31,5,9,11,24,19,16,32,10,4,26,12,25,20,21/E:(8,9)(10,11)/rA:33nCCCNCCCCCNCOCCCNCCCOOCCCONCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;s4s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s8;d19;s19;s21;s22;s6;d24;s24;s26;d27;s28;d29;s26s30;s5d31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23N5O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.9142
Area:632.691
Solvation:-3.90307
Coulombic:-68.4942
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:445.471
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.78
LogP (Chemaxon):2.95

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Descriptor Annotations

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