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Chemical ID: 6033859

Cc1ccc(cc1)C(=O)N(CCOC)CC(=O)Nc2nc(cs2)CC(=O)NCCCN3CCOCC3

Chemical ID:

6033859

Name [?]:

N-(2-methoxyethyl)-4-methyl-N-[[4-(3-morpholinopropylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)N(CCOC)CC(=O)Nc2nc(cs2)CC(=O)NCCCN3CCOCC3

InChi [?]:

InChI=1/C25H35N5O5S/c1-19-4-6-20(7-5-19)24(33)30(12-13-34-2)17-23(32)28-25-27-21(18-36-25)16-22(31)26-8-3-9-29-10-14-35-15-11-29/h4-7,18H,3,8-17H2,1-2H3,(H,26,31)(H,27,28,32)

InChi Info:

AuxInfo=1/1/N:1,14,29,3,7,4,6,28,30,32,36,11,12,33,35,24,15,22,2,5,21,25,16,8,19,27,20,18,31,10,26,17,9,13,34,23/E:(4,5)(6,7)(10,11)(14,15)/rA:36nCCCCCCCCONCCOCCCONCNCCSCCONCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10;s15;d16;s16;s18;d19;s20;d21;s19s22;s21;s24;d25;s25;s27;s28;s29;s30;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₅N₅O₅S
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7479
Area:	804.885
Solvation:	-8.37419
Coulombic:	-82.4429

Bond Count [?]

All:	38
Single:	30
Double:	8
Rotors:	16
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	517.642
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	0.48
LogP (Chemaxon):	0.93

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

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Chemical Mix	Source	External ID	Descriptor	Value