Chemical ID: 4578909

CCOc1ccccc1c2c3c(cc(n2)C(=O)NCC4CCCO4)c5ccccc5[nH]3
Chemical ID:
4578909
Name [?]:
None
SMILES [?]:
CCOc1ccccc1c2c3c(cc(n2)C(=O)NCC4CCCO4)c5ccccc5[nH]3
InChi [?]:
InChI=1/C25H25N3O3/c1-2-30-22-12-6-4-10-18(22)23-24-19(17-9-3-5-11-20(17)27-24)14-21(28-23)25(29)26-15-16-8-7-13-31-16/h3-6,9-12,14,16,27H,2,7-8,13,15H2,1H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,27,7,28,6,22,21,26,8,29,5,23,13,19,20,25,9,12,30,14,4,10,11,16,18,31,15,17,3,24/rA:31cCCOCCCCCCCCCCCNCONCCCCCOCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s21;s22;s20s23;s12;s25;d26;s27;d28;d25s29;s11s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25N3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.1225
Area:644.659
Solvation:-4.99403
Coulombic:-56.2916
Bond Count [?]
All:35
Single:25
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:415.484
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.49
LogP (Chemaxon):4.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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