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Chemical ID: 5938483
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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