Chemical ID: 6273722

CCCCCOc1cccc(c1)C(=O)N=c2n(c3ccc(cc3s2)C)CC=C
Chemical ID:
6273722
Name [?]:
N-(3-allyl-6-methyl-benzothiazol-2-ylidene)-3-pentoxy-benzamide
SMILES [?]:
CCCCCOc1cccc(c1)C(=O)N=c2n(c3ccc(cc3s2)C)CC=C
InChi [?]:
InChI=1/C23H26N2O2S/c1-4-6-7-14-27-19-10-8-9-18(16-19)22(26)24-23-25(13-5-2)20-12-11-17(3)15-21(20)28-23/h5,8-12,15-16H,2,4,6-7,13-14H2,1,3H3
InChi Info:
AuxInfo=1/0/N:1,28,25,2,27,3,4,9,10,8,20,19,26,5,22,12,21,11,7,18,23,13,16,15,17,14,6,24/rA:28nCCCCCOCCCCCCCONCNCCCCCCSCCCC/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;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.1751
Area:640.188
Solvation:-2.82961
Coulombic:-35.4221
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:394.531
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.73
LogP (Chemaxon):7.18

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