Chemical ID: 5984014

CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)C3CC3
Chemical ID:
5984014
Name [?]:
2-cyclopropylcarbonylamino-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)C3CC3
InChi [?]:
InChI=1/C19H24N4O3S/c1-4-11(2)15(20-16(24)12-8-9-12)17(25)21-19-23-22-18(27-19)13-6-5-7-14(10-13)26-3/h5-7,10-12,15H,4,8-9H2,1-3H3,(H,20,24)(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,4,21,2,16,15,17,26,27,19,3,25,14,18,5,23,6,12,9,22,8,11,10,24,7,20,13/E:(8,9)/rA:27cCCCCCCONCNNCSCCCCCCOCNCOCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s18;s20;s5;s22;d23;s23;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N4O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.965
Area:627.436
Solvation:-4.72091
Coulombic:-54.0842
Bond Count [?]
All:29
Single:22
Double:7
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:388.485
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.51
LogP (Chemaxon):2.75

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Descriptor Annotations

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