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Chemical ID: 5915042

CCCCC(=O)N(CC1CCCO1)CC(=O)N(CCc2ccc(c(c2)OC)OC)Cc3cccs3

Chemical ID:

5915042

Name [?]:

N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-N-(tetrahydrofuran-2-ylmethyl)pentanamide

SMILES [?]:

CCCCC(=O)N(CC1CCCO1)CC(=O)N(CCc2ccc(c(c2)OC)OC)Cc3cccs3

InChi [?]:

InChI=1/C27H38N2O5S/c1-4-5-10-26(30)29(18-22-8-6-15-34-22)20-27(31)28(19-23-9-7-16-35-23)14-13-21-11-12-24(32-2)25(17-21)33-3/h7,9,11-12,16-17,22H,4-6,8,10,13-15,18-20H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,29,27,2,3,11,33,10,32,4,21,22,19,18,12,34,25,8,30,14,20,9,31,23,24,5,15,17,7,6,16,28,26,13,35/rA:35cCCCCCONCCCCCOCCONCCCCCCCCOCOCCCCCCS/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s9s12;s7;s14;d15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s17;s30;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₈N₂O₅S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	11.012
Area:	787.218
Solvation:	-8.66845
Coulombic:	-55.1734

Bond Count [?]

All:	37
Single:	30
Double:	7
Rotors:	16
Chiral:	0
Rigid Segments:	12

Chemical Properties

Molecular Weight:	502.667
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.11
LogP (Chemaxon):	3.0

Name Annotations

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

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