Chemical ID: 6316959

Cc1cccc(c1)CN(CCCN2CCOCC2)C(=S)Nc3cccc(c3)OC
Chemical ID:
6316959
Name [?]:
3-(3-methoxyphenyl)-1-(3-morpholinopropyl)-1-(m-tolylmethyl)thiourea
SMILES [?]:
Cc1cccc(c1)CN(CCCN2CCOCC2)C(=S)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C23H31N3O2S/c1-19-6-3-7-20(16-19)18-26(11-5-10-25-12-14-28-15-13-25)23(29)24-21-8-4-9-22(17-21)27-2/h3-4,6-9,16-17H,5,10-15,18H2,1-2H3,(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,29,4,24,11,3,5,23,25,12,10,14,18,15,17,7,27,8,2,6,22,26,19,21,13,9,28,16,20/E:(12,13)(14,15)/rA:29nCCCCCCCCNCCCNCCOCCCSNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s9;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7197
Area:655.003
Solvation:-4.65538
Coulombic:-41.1951
Bond Count [?]
All:31
Single:24
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:413.577
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.13
LogP (Chemaxon):4.01

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Descriptor Annotations

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