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Chemical ID: 3855573

Cc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCCC5

Chemical ID:

3855573

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCCC5

InChi [?]:

InChI=1/C25H29N3O2S/c1-17-9-11-18(12-10-17)24-23-19-7-3-4-8-20(19)31-25(23)28(21(29)15-26-24)16-22(30)27-13-5-2-6-14-27/h9-12H,2-8,13-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,29,21,20,28,30,22,19,3,7,4,6,27,31,10,23,2,5,16,17,11,24,15,8,14,9,26,13,12,25,18/E:(5,6)(9,10)(11,12)(13,14)/rA:31nCCCCCCCCNCCONCCCCSCCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s11;s13;s8d14;s15;d16;s14s17;s17;s19;s20;s16s21;s13;s23;d24;s24;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉N₃O₂S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0605
Area:	624.8
Solvation:	-3.55954
Coulombic:	-39.9134

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	435.583
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.63
LogP (Chemaxon):	3.27

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