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Chemical ID: 5931845

CC(CCc1ccccc1)NC(=O)C2CSC(N2C(=O)C)c3ccc(c(c3)OC)OC

Chemical ID:

5931845

Name [?]:

3-acetyl-2-(3,4-dimethoxyphenyl)-N-(1-methyl-3-phenyl-propyl)-thiazolidine-4-carboxamide

SMILES [?]:

CC(CCc1ccccc1)NC(=O)C2CSC(N2C(=O)C)c3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C24H30N2O4S/c1-16(10-11-18-8-6-5-7-9-18)25-23(28)20-15-31-24(26(20)17(2)27)19-12-13-21(29-3)22(14-19)30-4/h5-9,12-14,16,20,24H,10-11,15H2,1-4H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,21,31,29,8,7,9,6,10,3,4,23,24,27,15,2,19,5,22,14,25,26,12,17,11,18,20,13,30,28,16/E:(6,7)(8,9)/rA:31cCCCCCCCCCCNCOCCSCNCOCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;s14;s15;s16;s14s17;s18;d19;s19;s17;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₀N₂O₄S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	3

ZAP Information [?]

Total:	9.47834
Area:	680.507
Solvation:	-7.53434
Coulombic:	-52.2089

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	442.572
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.59
LogP (Chemaxon):	3.21

Name Annotations

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

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