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Chemical ID: 5492696

CC(C)c1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(c(c3)OC)OC

Chemical ID:

5492696

Name [?]:

N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(4-isopropylphenyl)-prop-2-enamide

SMILES [?]:

CC(C)c1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C23H24N2O3S/c1-15(2)17-8-5-16(6-9-17)7-12-22(26)25-23-24-19(14-29-23)18-10-11-20(27-3)21(13-18)28-4/h5-15H,1-4H3,(H,24,25,26)

InChi Info:

AuxInfo=1/1/N:1,3,29,27,6,8,10,5,9,21,22,11,25,18,2,7,4,20,17,23,24,12,15,16,14,13,28,26,19/E:(1,2)(5,6)(8,9)/rA:29nCCCCCCCCCCCCONCNCCSCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄N₂O₃S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.7352
Area:	640.545
Solvation:	-6.27842
Coulombic:	-42.0942

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	408.514
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.07
LogP (Chemaxon):	5.72

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