Chemical ID: 6165209

CCN1C(=O)C(=Cc2ccc(c(c2)OCC)OCC(=O)OC)SC1=S
Chemical ID:
6165209
Name [?]:
methyl 2-[2-ethoxy-4-[(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenoxy]acetate
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(c(c2)OCC)OCC(=O)OC)SC1=S
InChi [?]:
InChI=1/C17H19NO5S2/c1-4-18-16(20)14(25-17(18)24)9-11-6-7-12(13(8-11)22-5-2)23-10-15(19)21-3/h6-9H,4-5,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,22,2,15,9,10,13,7,18,8,11,12,6,19,4,24,3,20,5,21,14,17,25,23/rA:25nCCNCOCCCCCCCCOCCOCCOOCSCS/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s11;s17;s18;d19;s19;s21;s6;s3s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO5S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.95058
Area:602.262
Solvation:-6.10596
Coulombic:-51.6781
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:381.469
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.94
LogP (Chemaxon):2.56

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Descriptor Annotations

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