Chemical ID: 3941287

CC(C)c1nnc(s1)NC(=O)C2CCCN2C(=O)Nc3ccccc3OC
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

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Descriptor Annotations

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