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Chemical ID: 6033506
Chemical ID:
6033506
Name [?]:
N-cyclopropyl-4-methyl-N-[[4-(propylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
CCCNC(=O)Cc1csc(n1)NC(=O)CN(C2CC2)C(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C21H26N4O3S/c1-3-10-22-18(26)11-16-13-29-21(23-16)24-19(27)12-25(17-8-9-17)20(28)15-6-4-14(2)5-7-15/h4-7,13,17H,3,8-12H2,1-2H3,(H,22,26)(H,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,29,2,25,27,24,28,19,20,3,7,16,9,26,23,8,18,5,14,21,11,4,12,13,17,6,15,22,10/E:(4,5)(6,7)(8,9)/rA:29nCCCNCOCCCSCNNCOCNCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;s18s19;s17;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N4O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1633 |
Area: | 653.706 |
Solvation: | -5.17936 |
Coulombic: | -62.2134 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 414.522 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.18 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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