Chemical ID: 5879623

CCCCCC1N(C(CS1)C(=O)OCCC)C(=O)c2ccc(cc2)Br
Chemical ID:
5879623
Name [?]:
propyl 3-(4-bromobenzoyl)-2-pentyl-thiazolidine-4-carboxylate
SMILES [?]:
CCCCCC1N(C(CS1)C(=O)OCCC)C(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C19H26BrNO3S/c1-3-5-6-7-17-21(16(13-25-17)19(23)24-12-4-2)18(22)14-8-10-15(20)11-9-14/h8-11,16-17H,3-7,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,15,3,4,5,20,24,21,23,14,9,19,22,8,6,17,11,25,7,18,12,13,10/E:(8,9)(10,11)/rA:25cCCCCCCNCCSCOOCCCCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;s7;s8;s6s9;s8;d11;s11;s13;s14;s15;s7;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26BrNO3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:12.6197
Area:613.719
Solvation:-2.72327
Coulombic:-40.0957
Bond Count [?]
All:26
Single:21
Double:5
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:428.385
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.88
LogP (Chemaxon):4.89

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Descriptor Annotations

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