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Chemical ID: 6003040
Chemical ID:
6003040
Name [?]:
N-cyclohexyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]naphthalene-2-carboxamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C23H25N3O2S/c1-16-15-29-23(24-16)25-21(27)14-26(20-9-3-2-4-10-20)22(28)19-12-11-17-7-5-6-8-18(17)13-19/h5-8,11-13,15,20H,2-4,9-10,14H2,1H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,25,26,24,27,13,17,22,21,29,10,3,2,23,28,20,12,8,18,5,6,7,11,9,19,4/E:(3,4)(9,10)/rA:29nCCCSCNNCOCNCCCCCCCOCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s11;d18;s18;s20;d21;s22;s23;d24;s25;d26;d23s27;d20s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0248 |
Area: | 622.71 |
Solvation: | -4.54294 |
Coulombic: | -43.9392 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 407.53 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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