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Chemical ID: 6877576

CCCOc1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3)OCCC

Chemical ID:

6877576

Name [?]:

3-(4-propoxyphenyl)-N-[4-(4-propoxyphenyl)thiazol-2-yl]-prop-2-enamide

SMILES [?]:

CCCOc1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3)OCCC

InChi [?]:

InChI=1/C24H26N2O3S/c1-3-15-28-20-10-5-18(6-11-20)7-14-23(27)26-24-25-22(17-30-24)19-8-12-21(13-9-19)29-16-4-2/h5-14,17H,3-4,15-16H2,1-2H3,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,30,2,29,7,9,11,22,26,6,10,23,25,12,3,28,19,8,21,5,24,18,13,16,17,15,14,4,27,20/E:(5,6)(8,9)(10,11)(12,13)/rA:30nCCCOCCCCCCCCCONCNCCSCCCCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₆N₂O₃S
All Atoms:	56
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0295
Area:	685.492
Solvation:	-5.10776
Coulombic:	-43.4787

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	422.541
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.49
LogP (Chemaxon):	6.15

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