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Chemical ID: 6033861

CCCCCNC(=O)Cc1csc(n1)NC(=O)CN(CCOC)C(=O)c2ccc(cc2)C

Chemical ID:

6033861

Name [?]:

N-(2-methoxyethyl)-4-methyl-N-[[4-(pentylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

CCCCCNC(=O)Cc1csc(n1)NC(=O)CN(CCOC)C(=O)c2ccc(cc2)C

InChi [?]:

InChI=1/C23H32N4O4S/c1-4-5-6-11-24-20(28)14-19-16-32-23(25-19)26-21(29)15-27(12-13-31-3)22(30)18-9-7-17(2)8-10-18/h7-10,16H,4-6,11-15H2,1-3H3,(H,24,28)(H,25,26,29)

InChi Info:

AuxInfo=1/1/N:1,32,23,2,3,4,28,30,27,31,5,20,21,9,18,11,29,26,10,7,16,24,13,6,14,15,19,8,17,25,22,12/E:(7,8)(9,10)/rA:32nCCCCCNCOCCCSCNNCOCNCCOCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;s21;s22;s19;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₂N₄O₄S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8879
Area:	743.544
Solvation:	-7.70072
Coulombic:	-69.2955

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	16
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	460.591
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.59
LogP (Chemaxon):	2.85

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