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Chemical ID: 4867535

Cc1ccccc1C(=O)N(Cc2ccc(cc2)N(C)C)C3CCS(=O)(=O)C3

Chemical ID:

4867535

Name [?]:

N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-benzamide

SMILES [?]:

Cc1ccccc1C(=O)N(Cc2ccc(cc2)N(C)C)C3CCS(=O)(=O)C3

InChi [?]:

InChI=1/C21H26N2O3S/c1-16-6-4-5-7-20(16)21(24)23(19-12-13-27(25,26)15-19)14-17-8-10-18(11-9-17)22(2)3/h4-11,19H,12-15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,20,4,5,3,6,13,17,14,16,22,23,11,27,2,12,15,21,7,8,18,10,9,25,26,24/E:(2,3)(8,9)(10,11)(25,26)/CRV:27.6/rA:27cCCCCCCCCONCCCCCCCNCCCCCSOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s10;s21;s22;s23;d24;d24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₂O₃S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	10.0147
Area:	571.221
Solvation:	-4.2658
Coulombic:	-26.6958

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	386.509
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.86
LogP (Chemaxon):	2.48

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value