Chemical ID: 3891150

CCN(CC)CCCN(c1nc(cs1)c2ccc(cc2)Cl)C(=O)c3ccc(cc3)OC
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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