Chemical ID: 4796179

CCCCn1c(c(c2c1nc3ccccc3n2)C(=O)NC(C)CCCC(C)C)N
Chemical ID:
4796179
Name [?]:
None
SMILES [?]:
CCCCn1c(c(c2c1nc3ccccc3n2)C(=O)NC(C)CCCC(C)C)N
InChi [?]:
InChI=1/C23H33N5O/c1-5-6-14-28-21(24)19(23(29)25-16(4)11-9-10-15(2)3)20-22(28)27-18-13-8-7-12-17(18)26-20/h7-8,12-13,15-16H,5-6,9-11,14,24H2,1-4H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,27,28,22,2,3,14,13,24,25,23,15,12,4,26,21,16,11,7,8,6,9,18,29,20,17,10,5,19/E:(2,3)/rA:29cCCCCNCCCCNCCCCCCNCONCCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;s5s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s7;d18;s18;s20;s21;s21;s23;s24;s25;s26;s26;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N5O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:14.2779
Area:658.575
Solvation:-2.18646
Coulombic:-59.2048
Bond Count [?]
All:31
Single:24
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:395.541
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:6.95
LogP (Chemaxon):5.36

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Descriptor Annotations

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