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Chemical ID: 6003218
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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