Chemical ID: 7729517

CC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(c(c3)OC)OC
Chemical ID:
7729517
Name [?]:
None
SMILES [?]:
CC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C15H15N5O4/c1-9(21)7-19-8-16-14-13(15(19)22)17-18-20(14)10-4-5-11(23-2)12(6-10)24-3/h4-6,8H,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,16,17,20,4,6,2,15,18,19,9,8,10,7,12,13,5,14,3,11,23,21/rA:24nCCOCNCNCCCONNNCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;s5s9;d10;s9;d12;s8s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N5O4
All Atoms:39
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:5.91954
Area:521.52
Solvation:-7.11846
Coulombic:-46.3728
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-0.32
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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