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Chemical ID: 6243863
Chemical ID:
6243863
Name [?]:
N-(4,5-dichlorobenzothiazol-2-yl)-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene-8-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)Nc3nc4c(s3)ccc(c4Cl)Cl)OCCO2
InChi [?]:
InChI=1/C16H10Cl2N2O3S/c17-9-2-4-12-14(13(9)18)19-16(24-12)20-15(21)8-1-3-10-11(7-8)23-6-5-22-10/h1-4,7H,5-6H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,23,22,5,6,17,3,4,13,18,12,7,10,20,19,11,9,8,24,21,14/rA:24nCCCCCCCONCNCCSCCCCClClOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;s12;s10s13;d13;s15;d16;d12s17;s18;s17;s4;s21;s22;s3s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.28069 |
Area: | 547.3 |
Solvation: | -4.4018 |
Coulombic: | -43.3006 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 381.234 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.77 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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