Chemical ID: 6218374

CC1(Cc2c(sc(n2)NC(=O)c3ccc(cc3)N(C)C)C(=O)C1)C
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

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