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Chemical ID: 6919889
Chemical ID:
6919889
Name [?]:
4-(11-methoxy-8-methyl-tetradeca-1,5,7,13-tetraenyl)-2-(2-methylcyclopropyl)-4,5-dihydrothiazole
SMILES [?]:
CC1CC1C2=NC(CS2)C=CCCC=CC=C(C)CCC(CC=C)OC
InChi [?]:
InChI=1/C23H35NOS/c1-5-11-21(25-4)15-14-18(2)12-9-7-6-8-10-13-20-17-26-23(24-20)22-16-19(22)3/h5,7,9-10,12-13,19-22H,1,6,8,11,14-17H2,2-4H3
InChi Info:
AuxInfo=1/0/N:24,18,1,26,23,13,14,12,15,11,22,16,10,19,20,3,8,17,2,7,21,4,5,6,25,9/rA:26cCCCCCNCCSCCCCCCCCCCCCCCCOC/rB:s1;s2;s2s3;s4;d5;s6;s7;s5s8;s7;w10;s11;s12;s13;w14;s15;w16;s17;s17;s19;s20;s21;s22;d23;s21;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H35NOS |
All Atoms: | 61 |
Heavy Atoms: | 26 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 14.4927 |
Area: | 706.586 |
Solvation: | -3.17199 |
Coulombic: | -19.4689 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 3 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 373.596 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.68 |
LogP (Chemaxon): | 5.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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