Chemical ID: 7386422

Cc1cn2c3c(nc2n1c4cccc(c4)OC)n(c(=O)n(c3=O)CCCO)C
Chemical ID:
7386422
Name [?]:
None
SMILES [?]:
Cc1cn2c3c(nc2n1c4cccc(c4)OC)n(c(=O)n(c3=O)CCCO)C
InChi [?]:
InChI=1/C19H21N5O4/c1-12-11-23-15-16(21(2)19(27)22(17(15)26)8-5-9-25)20-18(23)24(12)13-6-4-7-14(10-13)28-3/h4,6-7,10-11,25H,5,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,17,12,25,11,13,24,26,15,3,2,10,14,5,6,22,8,19,7,18,21,4,9,27,23,20,16/rA:28nCCCNCCNCNCCCCCCOCNCONCOCCCOC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s6;s18;d19;s19;s5s21;d22;s21;s24;s25;s26;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N5O4
All Atoms:49
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.89417
Area:591.127
Solvation:-4.88399
Coulombic:-77.371
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:383.401
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.76
LogP (Chemaxon):1.79

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Descriptor Annotations

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