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Chemical ID: 4554212

Cc1c(c2ccccc2n1c3ccccc3)CCNC(=O)CCC(=O)N4CC5CC(C4)c6cccc(=O)n6C5

Chemical ID:

4554212

Name [?]:

None

SMILES [?]:

Cc1c(c2ccccc2n1c3ccccc3)CCNC(=O)CCC(=O)N4CC5CC(C4)c6cccc(=O)n6C5

InChi [?]:

InChI=1/C32H34N4O3/c1-22-26(27-10-5-6-11-29(27)36(22)25-8-3-2-4-9-25)16-17-33-30(37)14-15-31(38)34-19-23-18-24(21-34)28-12-7-13-32(39)35(28)20-23/h2-13,23-24H,14-21H2,1H3,(H,33,37)

InChi Info:

AuxInfo=1/1/N:1,14,13,15,6,7,34,12,16,5,8,33,35,22,23,17,18,29,27,39,31,2,28,30,11,3,4,32,9,20,24,36,19,26,38,10,21,25,37/E:(3,4)(8,9)/rA:39cCCCCCCCCCNCCCCCCCCNCOCCCONCCCCCCCCCCONC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;d12;s13;d14;d11s15;s3;s17;s18;s19;d20;s20;s22;s23;d24;s24;s26;s27;s28;s29;s26s30;s30;d32;s33;d34;s35;d36;s32s36;s28s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₄N₄O₃
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	2

ZAP Information [?]

Total:	14.0994
Area:	768.682
Solvation:	-5.11765
Coulombic:	-57.5696

Bond Count [?]

All:	44
Single:	32
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	522.638
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.98
LogP (Chemaxon):	3.05

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value