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Chemical ID: 3855605

Cc1ccccc1C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCC5

Chemical ID:

3855605

Name [?]:

None

SMILES [?]:

Cc1ccccc1C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCC5

InChi [?]:

InChI=1/C24H27N3O2S/c1-16-8-2-3-9-17(16)23-22-18-10-4-5-11-19(18)30-24(22)27(20(28)14-25-23)15-21(29)26-12-6-7-13-26/h2-3,8-9H,4-7,10-15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,4,5,21,20,28,29,3,6,22,19,27,30,10,23,2,7,16,17,11,24,15,8,14,9,26,13,12,25,18/E:(6,7)(12,13)/rA:30nCCCCCCCCNCCONCCCCSCCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s10;d11;s11;s13;s8d14;s15;d16;s14s17;s17;s19;s20;s16s21;s13;s23;d24;s24;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇N₃O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2678
Area:	598.018
Solvation:	-3.68265
Coulombic:	-39.67

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	421.556
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.27
LogP (Chemaxon):	2.87

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