Chemical ID: 6003218

Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)c2cccc3c2cccc3
Chemical ID:
6003218
Name [?]:
N-isopentyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]naphthalene-1-carboxamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C22H25N3O2S/c1-15(2)11-12-25(13-20(26)24-22-23-16(3)14-28-22)21(27)19-10-6-8-17-7-4-5-9-18(17)19/h4-10,14-15H,11-13H2,1-3H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:15,16,1,27,26,21,28,22,25,20,13,12,10,3,14,2,23,24,19,8,17,5,6,7,11,9,18,4/E:(1,2)/rA:28nCCCSCNNCOCNCCCCCCOCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;d20;s21;d22;d19s23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.9094
Area:622.677
Solvation:-3.65757
Coulombic:-45.4571
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:395.519
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.55
LogP (Chemaxon):4.24

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