Chemical ID: 6033714

CC1CCN(CC1)C(=O)Cc2csc(n2)NC(=O)CN(CCOC)C(=O)c3ccc(cc3Cl)Cl
Chemical ID:
6033714
Name [?]:
2,4-dichloro-N-(2-methoxyethyl)-N-[[4-[(4-methyl-1-piperidyl)carbonylmethyl]thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
CC1CCN(CC1)C(=O)Cc2csc(n2)NC(=O)CN(CCOC)C(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C23H28Cl2N4O4S/c1-15-5-7-28(8-6-15)21(31)12-17-14-34-23(26-17)27-20(30)13-29(9-10-33-2)22(32)18-4-3-16(24)11-19(18)25/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H,26,27,30)
InChi Info:
AuxInfo=1/1/N:1,24,29,28,3,7,4,6,21,22,31,10,19,12,2,30,11,27,32,17,8,25,14,34,33,15,16,5,20,18,9,26,23,13/E:(5,6)(7,8)/rA:34nCCCCNCCCOCCCSCNNCOCNCCOCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;s22;s23;s20;d25;s25;s27;d28;s29;d30;d27s31;s32;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28Cl2N4O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.6223
Area:757.677
Solvation:-8.31966
Coulombic:-63.3519
Bond Count [?]
All:36
Single:28
Double:8
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:527.464
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.99
LogP (Chemaxon):3.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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