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Chemical ID: 6283667
Chemical ID:
6283667
Name [?]:
N-(6-chloro-3-ethyl-benzothiazol-2-ylidene)-2-oxo-chromene-3-carboxamide
SMILES [?]:
CCn1c2ccc(cc2sc1=NC(=O)c3cc4ccccc4oc3=O)Cl
InChi [?]:
InChI=1/C19H13ClN2O3S/c1-2-22-14-8-7-12(20)10-16(14)26-19(22)21-17(23)13-9-11-5-3-4-6-15(11)25-18(13)24/h3-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,20,18,21,6,5,16,8,17,7,15,4,22,9,13,24,11,26,12,3,14,25,23,10/rA:26nCCNCCCCCCSCNCOCCCCCCCCOCOCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;d15;s16;s17;d18;s19;d20;d17s21;s22;s15s23;d24;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13ClN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5842 |
Area: | 549.91 |
Solvation: | -3.16352 |
Coulombic: | -42.9304 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 384.837 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.56 |
LogP (Chemaxon): | 5.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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