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Chemical ID: 5595533

CC(=O)Nc1ccc(cc1)SCC(=O)Nc2ccccc2N3CCOCC3

Chemical ID:

5595533

Name [?]:

N-[4-[(2-morpholinophenyl)carbamoylmethylsulfanyl]phenyl]acetamide

SMILES [?]:

CC(=O)Nc1ccc(cc1)SCC(=O)Nc2ccccc2N3CCOCC3

InChi [?]:

InChI=1/C20H23N3O3S/c1-15(24)21-16-6-8-17(9-7-16)27-14-20(25)22-18-4-2-3-5-19(18)23-10-12-26-13-11-23/h2-9H,10-14H2,1H3,(H,21,24)(H,22,25)

InChi Info:

AuxInfo=1/1/N:1,18,19,17,20,6,10,7,9,23,27,24,26,12,2,5,8,16,21,13,4,15,22,3,14,25,11/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCONCCCCCCSCCONCCCCCCNCCOCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃N₃O₃S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.78248
Area:	613.927
Solvation:	-5.5657
Coulombic:	-54.4299

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	385.481
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.3
LogP (Chemaxon):	2.71

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