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Chemical ID: 3860962
Chemical ID:
3860962
Name [?]:
2-chloro-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(3-dimethylaminopropyl)benzamide
SMILES [?]:
CN(C)CCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C23H26ClN3O3S/c1-26(2)12-7-13-27(22(28)17-8-5-6-9-19(17)24)23-25-20(15-31-23)18-14-16(29-3)10-11-21(18)30-4/h5-6,8-11,14-15H,7,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,22,20,27,28,5,26,29,16,17,4,6,14,11,15,25,13,30,10,18,23,8,31,9,2,7,24,21,19,12/E:(1,2)/rA:31nCNCCCCNCNCCSCCCCCCOCOCCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;s7;d23;s23;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26ClN3O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86475 |
Area: | 671.023 |
Solvation: | -6.91083 |
Coulombic: | -41.3827 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 459.99 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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