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Chemical ID: 7713048

Cc1ccc(cc1)NC(=O)c2cc3cc4c5c(c3oc2=Nc6cccc(c6)C(=O)C)CCCN5CCC4

Chemical ID:

7713048

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)NC(=O)c2cc3cc4c5c(c3oc2=Nc6cccc(c6)C(=O)C)CCCN5CCC4

InChi [?]:

InChI=1/C31H29N3O3/c1-19-10-12-24(13-11-19)32-30(36)27-18-23-16-22-7-4-14-34-15-5-9-26(28(22)34)29(23)37-31(27)33-25-8-3-6-21(17-25)20(2)35/h3,6,8,10-13,16-18H,4-5,7,9,14-15H2,1-2H3,(H,32,36)

InChi Info:

AuxInfo=1/1/N:1,30,24,36,32,25,37,23,31,3,7,4,6,35,33,14,27,12,2,28,26,15,13,5,22,17,11,16,18,9,20,8,21,34,29,10,19/E:(10,11)(12,13)/rA:37cCCCCCCCNCOCCCCCCCCOCNCCCCCCCOCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;w20;s21;s22;d23;s24;d25;d22s26;s26;d28;s28;s17;s31;s32;s16s33;s34;s35;s15s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₉N₃O₃
All Atoms:	66
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	12.063
Area:	674.057
Solvation:	-4.78847
Coulombic:	-49.0812

Bond Count [?]

All:	42
Single:	29
Double:	13
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.21
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value