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Chemical ID: 6024155
Chemical ID:
6024155
Name [?]:
3-chloro-N-[[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-2,2-dimethyl-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)C(C)(C)CCl
InChi [?]:
InChI=1/C26H37ClN2O4S/c1-7-12-29(25(31)26(3,4)18-27)17-24(30)28(16-23-19(2)11-14-34-23)13-10-20-8-9-21(32-5)22(15-20)33-6/h8-9,11,14-15H,7,10,12-13,16-18H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,27,31,32,20,18,2,12,13,10,24,3,9,25,16,21,5,33,23,11,14,15,22,6,28,30,34,8,4,7,29,19,17,26/E:(3,4)/rA:34nCCCNCCONCCCCCCCCOCOCCCCCCSCCOCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;s21;d22;s23;d24;s22s25;s23;s4;d28;s28;s30;s30;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H37ClN2O4S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5833 |
Area: | 748.409 |
Solvation: | -7.12689 |
Coulombic: | -48.4913 |
Bond Count [?]
All: | 35 |
Single: | 28 |
Double: | 7 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 509.102 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.38 |
LogP (Chemaxon): | 4.62 |
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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