Chemical ID: 6272482

CCCCCOc1cccc(c1)C(=O)N=c2n(c3ccc(cc3s2)Cl)CCOCC
Chemical ID:
6272482
Name [?]:
N-[6-chloro-3-(2-ethoxyethyl)benzothiazol-2-ylidene]-3-pentoxy-benzamide
SMILES [?]:
CCCCCOc1cccc(c1)C(=O)N=c2n(c3ccc(cc3s2)Cl)CCOCC
InChi [?]:
InChI=1/C23H27ClN2O3S/c1-3-5-6-13-29-19-9-7-8-17(15-19)22(27)25-23-26(12-14-28-4-2)20-11-10-18(24)16-21(20)30-23/h7-11,15-16H,3-6,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,29,3,4,9,10,8,20,19,26,5,27,12,22,11,21,7,18,23,13,16,25,15,17,14,28,6,24/rA:30nCCCCCOCCCCCCCONCNCCCCCCSClCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;w15;s16;s17;s18;d19;s20;d21;d18s22;s16s23;s21;s17;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27ClN2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.3559
Area:694.371
Solvation:-4.00341
Coulombic:-41.9895
Bond Count [?]
All:32
Single:24
Double:8
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:446.991
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.54
LogP (Chemaxon):6.67

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