Chemical ID: 6316680

Cc1cc(ccc1Cl)NC(=S)N(CCN2CCOCC2)Cc3ccc(cc3)OC
Chemical ID:
6316680
Name [?]:
3-(4-chloro-3-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]-1-(2-morpholinoethyl)thiourea
SMILES [?]:
Cc1cc(ccc1Cl)NC(=S)N(CCN2CCOCC2)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C22H28ClN3O2S/c1-17-15-19(5-8-21(17)23)24-22(29)26(10-9-25-11-13-28-14-12-25)16-18-3-6-20(27-2)7-4-18/h3-8,15H,9-14,16H2,1-2H3,(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,29,23,27,5,24,26,6,14,13,16,20,17,19,3,21,2,22,4,25,7,10,8,9,15,12,28,18,11/E:(3,4)(6,7)(11,12)(13,14)/rA:29nCCCCCCCClNCSNCCNCCOCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;s15s19;s12;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28ClN3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8892
Area:660.318
Solvation:-4.61876
Coulombic:-41.5558
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:433.995
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.18
LogP (Chemaxon):4.47

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Descriptor Annotations

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