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Chemical ID: 5921087

CCC(=O)N(CCCOCC)CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3c(ccs3)C

Chemical ID:

5921087

Name [?]:

N-[[benzo[1,3]dioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-ethoxypropyl)propanamide

SMILES [?]:

CCC(=O)N(CCCOCC)CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3c(ccs3)C

InChi [?]:

InChI=1/C24H32N2O5S/c1-4-23(27)25(10-6-11-29-5-2)16-24(28)26(15-22-18(3)9-12-32-22)14-19-7-8-20-21(13-19)31-17-30-20/h7-9,12-13H,4-6,10-11,14-17H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,11,32,2,10,7,18,19,29,6,8,30,22,16,26,12,24,28,17,20,21,27,3,13,5,15,4,14,9,25,23,31/rA:32nCCCONCCCOCCCCONCCCCCCCOCOCCCCCSC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s5;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20s24;s15;s26;d27;s28;d29;s27s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂N₂O₅S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0107
Area:	707.699
Solvation:	-6.68181
Coulombic:	-56.5632

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	460.587
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	2.39
LogP (Chemaxon):	2.61

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