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Chemical ID: 6033644
Chemical ID:
6033644
Name [?]:
N-(2-methoxyethyl)-N-[[4-(3-methoxypropylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
COCCCNC(=O)Cc1csc(n1)NC(=O)CN(CCOC)C(=O)c2ccccc2
InChi [?]:
InChI=1/C21H28N4O5S/c1-29-11-6-9-22-18(26)13-17-15-31-21(23-17)24-19(27)14-25(10-12-30-2)20(28)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,22,26)(H,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,23,29,28,30,4,27,31,5,20,3,21,9,18,11,26,10,7,16,24,13,6,14,15,19,8,17,25,2,22,12/E:(4,5)(7,8)/rA:31nCOCCCNCOCCCSCNNCOCNCCOCCOCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N4O5S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58412 |
Area: | 715.234 |
Solvation: | -9.29673 |
Coulombic: | -75.9173 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 448.537 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 0.4 |
LogP (Chemaxon): | 0.67 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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