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Chemical ID: 6033688
Chemical ID:
6033688
Name [?]:
N-[[4-(butylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide
SMILES [?]:
CCCCNC(=O)Cc1csc(n1)NC(=O)CN(CCOC)C(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C21H26Cl2N4O4S/c1-3-4-7-24-18(28)11-15-13-32-21(25-15)26-19(29)12-27(8-9-31-2)20(30)16-6-5-14(22)10-17(16)23/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3,(H,24,28)(H,25,26,29)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,27,26,4,19,20,29,8,17,10,28,9,25,30,6,15,23,12,32,31,5,13,14,18,7,16,24,21,11/rA:32nCCCCNCOCCCSCNNCOCNCCOCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;s20;s21;s18;d23;s23;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26Cl2N4O4S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5101 |
Area: | 751.621 |
Solvation: | -8.28045 |
Coulombic: | -68.2311 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 501.427 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.82 |
LogP (Chemaxon): | 3.02 |
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
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