ChemDB: Chemical Search
Download
Chemical ID: 3941287
Chemical ID:
3941287
Name [?]:
N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CC(C)c1nnc(s1)NC(=O)C2CCCN2C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C18H23N5O3S/c1-11(2)16-21-22-17(27-16)20-15(24)13-8-6-10-23(13)18(25)19-12-7-4-5-9-14(12)26-3/h4-5,7,9,11,13H,6,8,10H2,1-3H3,(H,19,25)(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,27,22,23,14,21,13,24,15,2,20,12,25,10,4,7,17,19,9,5,6,16,11,18,26,8/E:(1,2)/rA:27cCCCCNNCSNCOCCCCNCONCCCCCCOC/rB:s1;s2;s2;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N5O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.7719 |
Area: | 611.783 |
Solvation: | -5.52266 |
Coulombic: | -61.8881 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 389.473 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.34 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|