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Chemical ID: 6218374
Chemical ID:
6218374
Name [?]:
4-dimethylamino-N-(5,5-dimethyl-7-oxo-4,6-dihydrobenzothiazol-2-yl)-benzamide
SMILES [?]:
CC1(Cc2c(sc(n2)NC(=O)c3ccc(cc3)N(C)C)C(=O)C1)C
InChi [?]:
InChI=1/C18H21N3O2S/c1-18(2)9-13-15(14(22)10-18)24-17(19-13)20-16(23)11-5-7-12(8-6-11)21(3)4/h5-8H,9-10H2,1-4H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,24,19,20,13,17,14,16,3,23,12,15,4,21,5,10,7,2,8,9,18,22,11,6/E:(1,2)(3,4)(5,6)(7,8)/rA:24nCCCCCSCNNCOCCCCCCNCCCOCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s18;s5;d21;s2s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96175 |
Area: | 542.27 |
Solvation: | -3.59499 |
Coulombic: | -40.5265 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 343.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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