Chemical ID: 5938483

c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)c4csc(n4)N5CCCC5
Chemical ID:
5938483
Name [?]:
2,2-diphenyl-N-[4-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]-acetamide
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)c4csc(n4)N5CCCC5
InChi [?]:
InChI=1/C27H25N3OS/c31-26(25(21-9-3-1-4-10-21)22-11-5-2-6-12-22)28-23-15-13-20(14-16-23)24-19-32-27(29-24)30-17-7-8-18-30/h1-6,9-16,19,25H,7-8,17-18H2,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,30,31,3,5,9,13,19,21,18,22,29,32,24,20,4,8,17,23,7,14,26,16,27,28,15,25/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18)(21,22)/rA:32nCCCCCCCCCCCCCCONCCCCCCCCSCNNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s24;s25;s23d26;s26;s28;s29;s30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H25N3OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.4566
Area:677.534
Solvation:-3.48176
Coulombic:-37.2327
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:439.573
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.02
LogP (Chemaxon):6.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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