Chemical ID: 7723874

COc1cc(cc(c1)OC)C(=O)N=c2n(c3c(s2)cccc3Cl)CC#C
Chemical ID:
7723874
Name [?]:
None
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)N=c2n(c3c(s2)cccc3Cl)CC#C
InChi [?]:
InChI=1/C19H15ClN2O3S/c1-4-8-22-17-15(20)6-5-7-16(17)26-19(22)21-18(23)12-9-13(24-2)11-14(10-12)25-3/h1,5-7,9-11H,8H2,2-3H3
InChi Info:
AuxInfo=1/0/N:26,1,10,25,20,21,19,24,4,6,8,5,3,7,22,17,16,11,14,23,13,15,12,2,9,18/E:(2,3)(9,10)(13,14)(24,25)/rA:26nCOCCCCCCOCCONCNCCSCCCCClCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;w13;s14;s15;s16;s14s17;d17;s19;d20;d16s21;s22;s15;s24;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClN2O3S
All Atoms:41
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:9.77054
Area:573.061
Solvation:-4.55597
Coulombic:-40.8968
Bond Count [?]
All:28
Single:19
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.57
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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