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Chemical ID: 6033714
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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