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Chemical ID: 6023584
Chemical ID:
6023584
Name [?]:
N-cyclopropyl-N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-2-methoxy-acetamide
SMILES [?]:
COCC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C3CC3
InChi [?]:
InChI=1/C20H23FN2O3S/c1-26-14-20(25)23(17-8-9-17)13-19(24)22(12-18-3-2-10-27-18)11-15-4-6-16(21)7-5-15/h2-7,10,17H,8-9,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,13,17,14,16,26,27,23,11,19,7,3,12,15,25,20,8,4,18,10,6,9,5,2,24/E:(4,5)(6,7)(8,9)/rA:27nCOCCONCCONCCCCCCCFCCCCCSCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;s19;d20;s21;d22;s20s23;s6;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23FN2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.90349 |
Area: | 586.135 |
Solvation: | -6.74988 |
Coulombic: | -45.023 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 390.473 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.83 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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