Chemical ID: 4910846

CC1=C(C(=O)C2=C(C1=O)CC3C4C5=C(CC(N4C)C(N3C2CNC(=O)C(=O)C)C#N)C(=O)C(=C(C5=O)OC)C)OC
Chemical ID:
4910846
Name [?]:
None
SMILES [?]:
CC1=C(C(=O)C2=C(C1=O)CC3C4C5=C(CC(N4C)C(N3C2CNC(=O)C(=O)C)C#N)C(=O)C(=C(C5=O)OC)C)OC
InChi [?]:
InChI=1/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)
InChi Info:
AuxInfo=1/1/N:1,39,28,18,41,38,15,10,29,22,2,33,26,7,14,16,11,19,21,6,13,12,8,31,4,35,3,34,24,30,23,17,20,27,9,32,5,36,25,40,37/rA:41cCCCCOCCCOCCCCCCCNCCNCCNCOCOCCNCOCCCOOCCOC/rB:s1;d2;s3;d4;s4;d6;s2s7;d8;s7;s10;s11;s12;d13;s14;s15;s12s16;s17;s16;s11s19;s6s20;s21;s22;s23;d24;s24;d26;s26;s19;t29;s14;d31;s31;d33;s13s34;d35;s34;s37;s33;s3;s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H30N4O8
All Atoms:41
Heavy Atoms:41
Chiral Atoms:7
ZAP Information [?]
Total:9.42299
Area:709.477
Solvation:-8.31393
Coulombic:-90.3297
Bond Count [?]
All:45
Single:34
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:562.571
H-Bond Donors:1
H-Bond Acceptors:12
XLogP:-2.25
LogP (Chemaxon):-0.75

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue