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Chemical ID: 3891150
Chemical ID:
3891150
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-N-(3-diethylaminopropyl)-4-methoxy-benzamide
SMILES [?]:
CCN(CC)CCCN(c1nc(cs1)c2ccc(cc2)Cl)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C24H28ClN3O2S/c1-4-27(5-2)15-6-16-28(23(29)19-9-13-21(30-3)14-10-19)24-26-22(17-31-24)18-7-11-20(25)12-8-18/h7-14,17H,4-6,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,31,2,4,7,16,20,25,29,17,19,26,28,6,8,13,15,24,18,27,12,22,10,21,11,3,9,23,30,14/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)/rA:31nCCNCCCCCNCNCCSCCCCCCClCOCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s9;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28ClN3O2S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2348 |
Area: | 704.31 |
Solvation: | -4.37298 |
Coulombic: | -37.1576 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 458.017 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.56 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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