Chemical ID: 4570544

CC(C)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCCOC
Chemical ID:
4570544
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCCOC
InChi [?]:
InChI=1/C27H31N3O3/c1-17(2)18-9-11-19(12-10-18)26-25-21(20-7-4-5-8-22(20)28-25)15-23-27(32)29(13-6-14-33-3)16-24(31)30(23)26/h4-5,7-12,17,23,26,28H,6,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,33,15,16,30,14,17,5,9,6,8,29,31,20,25,2,4,7,13,12,18,21,23,11,10,27,19,26,22,24,28,32/E:(1,2)(9,10)(11,12)/rA:33cCCCCCCCCCCCCCCCCCCNCCNCOCNCOCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s12;s20;s10s21;s22;d23;s23;s25;s21s26;d27;s26;s29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31N3O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:11.6488
Area:674.05
Solvation:-5.20241
Coulombic:-53.6758
Bond Count [?]
All:37
Single:28
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:445.553
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.52
LogP (Chemaxon):3.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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