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Chemical ID: 5920961
Chemical ID:
5920961
Name [?]:
N-cyclopropyl-N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(C3CC3)C(=O)c4cccs4
InChi [?]:
InChI=1/C23H23FN2O2S2/c1-16-4-11-20(30-16)14-25(13-17-5-7-18(24)8-6-17)22(27)15-26(19-9-10-19)23(28)21-3-2-12-29-21/h2-8,11-12,19H,9-10,13-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,3,11,15,12,14,22,23,4,29,9,7,19,2,10,13,21,5,26,17,24,16,8,20,18,25,30,6/E:(5,6)(7,8)(9,10)/rA:30nCCCCCSCNCCCCCCCFCOCNCCCCOCCCCS/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21s22;s20;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23FN2O2S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9951 |
Area: | 608.571 |
Solvation: | -4.21912 |
Coulombic: | -40.0762 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 442.571 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.95 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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