Chemical ID: 7735832

CN(C)CCCN(c1nc2c(cccc2s1)OC)C(=O)CCOc3ccccc3
Chemical ID:
7735832
Name [?]:
None
SMILES [?]:
CN(C)CCCN(c1nc2c(cccc2s1)OC)C(=O)CCOc3ccccc3
InChi [?]:
InChI=1/C22H27N3O3S/c1-24(2)14-8-15-25(20(26)13-16-28-17-9-5-4-6-10-17)22-23-21-18(27-3)11-7-12-19(21)29-22/h4-7,9-12H,8,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,18,27,26,28,13,5,25,29,12,14,21,4,6,22,24,11,15,19,10,8,9,2,7,20,17,23,16/E:(1,2)(5,6)(9,10)/rA:29nCNCCCCNCNCCCCCCSOCCOCCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s11;s17;s7;d19;s19;s21;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O3S
All Atoms:56
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:10.566
Area:663.816
Solvation:-6.02943
Coulombic:-41.9262
Bond Count [?]
All:31
Single:23
Double:8
Rotors:11
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.01
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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