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Chemical ID: 7348635

c1ccc(cc1)CCNC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6

Chemical ID:

7348635

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CCNC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6

InChi [?]:

InChI=1/C27H23N3O2/c31-26(28-15-14-17-8-2-1-3-9-17)23-16-21-18-10-6-7-13-22(18)29-24(21)25-19-11-4-5-12-20(19)27(32)30(23)25/h1-13,23,25,29H,14-16H2,(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,2,6,30,31,17,18,3,5,16,29,32,19,7,8,13,4,15,28,27,14,20,12,22,23,10,25,9,21,24,11,26/E:(2,3)(8,9)/rA:32cCCCCCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;d14s21;s22;s12s23;s24;d25;s25;s23s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₃N₃O₂
All Atoms:	55
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	12.598
Area:	646.591
Solvation:	-3.56674
Coulombic:	-53.0848

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	421.491
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.9
LogP (Chemaxon):	4.06

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

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

Chemical Mix	Source	External ID	Descriptor	Value