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Chemical ID: 6033506

CCCNC(=O)Cc1csc(n1)NC(=O)CN(C2CC2)C(=O)c3ccc(cc3)C

Chemical ID:

6033506

Name [?]:

N-cyclopropyl-4-methyl-N-[[4-(propylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

CCCNC(=O)Cc1csc(n1)NC(=O)CN(C2CC2)C(=O)c3ccc(cc3)C

InChi [?]:

InChI=1/C21H26N4O3S/c1-3-10-22-18(26)11-16-13-29-21(23-16)24-19(27)12-25(17-8-9-17)20(28)15-6-4-14(2)5-7-15/h4-7,13,17H,3,8-12H2,1-2H3,(H,22,26)(H,23,24,27)

InChi Info:

AuxInfo=1/1/N:1,29,2,25,27,24,28,19,20,3,7,16,9,26,23,8,18,5,14,21,11,4,12,13,17,6,15,22,10/E:(4,5)(6,7)(8,9)/rA:29nCCCNCOCCCSCNNCOCNCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;s18s19;s17;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₄O₃S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1633
Area:	653.706
Solvation:	-5.17936
Coulombic:	-62.2134

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	414.522
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.18
LogP (Chemaxon):	2.62

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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