Chemical ID: 5984190

CC(C)(C)c1ccc(cc1)C(=O)N2CCCC2C(=O)Nc3nnc(s3)c4cccc(c4)Cl
Chemical ID:
5984190
Name [?]:
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-tert-butylbenzoyl)-pyrrolidine-2-carboxamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N2CCCC2C(=O)Nc3nnc(s3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C24H25ClN4O2S/c1-24(2,3)17-11-9-15(10-12-17)22(31)29-13-5-8-19(29)20(30)26-23-28-27-21(32-23)16-6-4-7-18(25)14-16/h4,6-7,9-12,14,19H,5,8,13H2,1-3H3,(H,26,28,30)
InChi Info:
AuxInfo=1/1/N:1,3,4,28,15,27,29,16,7,9,6,10,14,31,8,26,5,30,17,18,24,11,21,2,32,20,23,22,13,19,12,25/E:(1,2,3)(9,10)(11,12)/rA:32cCCCCCCCCCCCONCCCCCONCNNCSCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s13s16;s17;d18;s18;s20;d21;s22;d23;s21s24;s24;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25ClN4O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.084
Area:705.082
Solvation:-4.54306
Coulombic:-44.757
Bond Count [?]
All:35
Single:25
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:469.0
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.54
LogP (Chemaxon):5.15

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