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Chemical ID: 5620312

CCN1c2ccc(c3c2c(ccc3)C1=O)NC(=O)c4ccc(cc4)C(=O)c5ccccc5

Chemical ID:

5620312

Name [?]:

None

SMILES [?]:

CCN1c2ccc(c3c2c(ccc3)C1=O)NC(=O)c4ccc(cc4)C(=O)c5ccccc5

InChi [?]:

InChI=1/C27H20N2O3/c1-2-29-23-16-15-22(20-9-6-10-21(24(20)23)27(29)32)28-26(31)19-13-11-18(12-14-19)25(30)17-7-4-3-5-8-17/h3-16H,2H2,1H3,(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,2,30,29,31,12,28,32,13,11,21,23,20,24,6,5,27,22,19,8,10,7,4,9,25,17,14,16,3,26,18,15/E:(4,5)(7,8)(11,12)(13,14)/rA:32nCCNCCCCCCCCCCCONCOCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s3s10;d14;s7;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₀N₂O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6083
Area:	648.779
Solvation:	-3.61122
Coulombic:	-50.0324

Bond Count [?]

All:	36
Single:	22
Double:	14
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	420.459
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.33
LogP (Chemaxon):	4.45

Name Annotations

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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