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Chemical ID: 6022932

CC(C)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C(=O)C4CCCC4

Chemical ID:

6022932

Name [?]:

N-[(benzo[1,3]dioxol-5-ylmethyl-(2-thienylmethyl)carbamoyl)methyl]-N-isopropyl-cyclopentanecarboxamide

SMILES [?]:

CC(C)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C(=O)C4CCCC4

InChi [?]:

InChI=1/C24H30N2O4S/c1-17(2)26(24(28)19-6-3-4-7-19)15-23(27)25(14-20-8-5-11-31-20)13-18-9-10-21-22(12-18)30-16-29-21/h5,8-12,17,19H,3-4,6-7,13-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,29,30,22,28,31,21,11,12,23,15,9,19,5,17,2,10,27,20,13,14,6,25,8,4,7,26,18,16,24/E:(1,2)(3,4)(6,7)/rA:31nCCCNCCONCCCCCCCOCOCCCCCSCOCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;s19;d20;s21;d22;s20s23;s4;d25;s25;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₀N₂O₄S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8976
Area:	633.162
Solvation:	-4.93146
Coulombic:	-50.13

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	442.572
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.63
LogP (Chemaxon):	3.52

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