Chemical ID: 5984524

CCCCNC(=O)N1CCCC1C(=O)Nc2nnc(s2)c3cccc(c3)OC
Chemical ID:
5984524
Name [?]:
N-butyl-N'-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CCCCNC(=O)N1CCCC1C(=O)Nc2nnc(s2)c3cccc(c3)OC
InChi [?]:
InChI=1/C19H25N5O3S/c1-3-4-10-20-19(26)24-11-6-9-15(24)16(25)21-18-23-22-17(28-18)13-7-5-8-14(12-13)27-2/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3,(H,20,26)(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,3,23,10,22,24,11,4,9,26,21,25,12,13,19,16,6,5,15,18,17,8,14,7,27,20/rA:28cCCCCNCONCCCCCONCNNCSCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N5O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.5202
Area:655.41
Solvation:-5.86508
Coulombic:-62.3421
Bond Count [?]
All:30
Single:23
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:403.5
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.29
LogP (Chemaxon):2.21

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Descriptor Annotations

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