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Chemical ID: 5914849

Cc1ccc(cc1)C(=O)N(CC(=O)N(CCc2ccc(c(c2)OC)OC)Cc3cccs3)C4CCCCC4

Chemical ID:

5914849

Name [?]:

N-cyclohexyl-N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-4-methyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)N(CC(=O)N(CCc2ccc(c(c2)OC)OC)Cc3cccs3)C4CCCCC4

InChi [?]:

InChI=1/C31H38N2O4S/c1-23-11-14-25(15-12-23)31(35)33(26-8-5-4-6-9-26)22-30(34)32(21-27-10-7-19-38-27)18-17-24-13-16-28(36-2)29(20-24)37-3/h7,10-16,19-20,26H,4-6,8-9,17-18,21-22H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,26,24,36,35,37,30,34,38,29,3,7,18,4,6,19,16,15,31,22,27,11,2,17,5,33,28,20,21,12,8,14,10,13,9,25,23,32/E:(5,6)(8,9)(11,12)(14,15)/rA:38nCCCCCCCCONCCONCCCCCCCCOCOCCCCCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s14;s27;d28;s29;d30;s28s31;s10;s33;s34;s35;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₈N₂O₄S
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5747
Area:	745.684
Solvation:	-7.06741
Coulombic:	-50.6251

Bond Count [?]

All:	41
Single:	31
Double:	10
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	534.711
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.35
LogP (Chemaxon):	5.13

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