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Chemical ID: 4572835

Cc1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)Cc6ccc(cc6)Cl

Chemical ID:

4572835

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)Cc6ccc(cc6)Cl

InChi [?]:

InChI=1/C28H24ClN3O2/c1-17-6-10-19(11-7-17)27-26-22(21-4-2-3-5-23(21)30-26)14-24-28(34)31(16-25(33)32(24)27)15-18-8-12-20(29)13-9-18/h2-13,24,27,30H,14-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,13,14,12,15,3,7,29,33,4,6,30,32,18,27,23,2,28,5,31,11,10,16,19,21,9,8,25,34,17,24,20,22,26/E:(6,7)(8,9)(10,11)(12,13)/rA:34cCCCCCCCCCCCCCCCCNCCNCOCNCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;s20;d21;s21;s23;s19s24;d25;s24;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄ClN₃O₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	2

ZAP Information [?]

Total:	12.9419
Area:	667.823
Solvation:	-3.7537
Coulombic:	-47.5909

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	469.962
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.71
LogP (Chemaxon):	5.07

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