Chemical ID: 6262642

CCN(CC)c1ccc(cc1)C(=O)Nc2nc3c(s2)CC(CC3)C
Chemical ID:
6262642
Name [?]:
4-diethylamino-N-(6-methyl-4,5,6,7-tetrahydrobenzothiazol-2-yl)-benzamide
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)Nc2nc3c(s2)CC(CC3)C
InChi [?]:
InChI=1/C19H25N3OS/c1-4-22(5-2)15-9-7-14(8-10-15)18(23)21-19-20-16-11-6-13(3)12-17(16)24-19/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,24,2,4,22,8,10,7,11,23,20,21,9,6,17,18,12,15,16,14,3,13,19/E:(1,2)(4,5)(7,8)(9,10)/rA:24cCCNCCCCCCCCCONCNCCSCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;s17s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:11.4768
Area:567.819
Solvation:-2.71871
Coulombic:-33.6312
Bond Count [?]
All:26
Single:20
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.487
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.7
LogP (Chemaxon):4.4

Name Annotations

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Descriptor Annotations

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