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Chemical ID: 6009006
Chemical ID:
6009006
Name [?]:
N-(cyclohexylmethyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]naphthalene-1-carboxamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CC2CCCCC2)C(=O)c3cccc4c3cccc4
InChi [?]:
InChI=1/C24H27N3O2S/c1-17-16-30-24(25-17)26-22(28)15-27(14-18-8-3-2-4-9-18)23(29)21-13-7-11-19-10-5-6-12-20(19)21/h5-7,10-13,16,18H,2-4,8-9,14-15H2,1H3,(H,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,29,28,23,14,18,30,24,27,22,12,10,3,2,13,25,26,21,8,19,5,6,7,11,9,20,4/E:(3,4)(8,9)/rA:30nCCCSCNNCOCNCCCCCCCCOCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s11;d19;s19;s21;d22;s23;d24;d21s25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8579 |
Area: | 634.469 |
Solvation: | -4.00385 |
Coulombic: | -44.9993 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 421.556 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.14 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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