Chemical ID: 4577310

Cc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCC(C)C
Chemical ID:
4577310
Name [?]:
None
SMILES [?]:
Cc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCC(C)C
InChi [?]:
InChI=1/C26H29N3O2/c1-16(2)12-13-28-15-23(30)29-22(26(28)31)14-20-19-10-6-7-11-21(19)27-24(20)25(29)18-9-5-4-8-17(18)3/h4-11,16,22,25,27H,12-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:30,31,1,4,5,13,14,3,6,12,15,28,27,18,23,29,2,7,11,10,16,19,21,9,8,25,17,24,20,22,26/E:(1,2)/rA:31cCCCCCCCCCCCCCCCCNCCNCOCNCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;s20;d21;s21;s23;s19s24;d25;s24;s27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:12.0074
Area:618.733
Solvation:-3.46089
Coulombic:-46.7414
Bond Count [?]
All:35
Single:26
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:415.527
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.24
LogP (Chemaxon):4.31

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Descriptor Annotations

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