Chemical ID: 5920900

Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)C(C)C
Chemical ID:
5920900
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-2-methyl-propanamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)C(C)C
InChi [?]:
InChI=1/C22H29FN2O2S/c1-15(2)22(27)25(16(3)4)14-21(26)24(13-20-11-6-17(5)28-20)12-18-7-9-19(23)10-8-18/h6-11,15-16H,12-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:27,28,22,23,1,3,11,15,12,14,4,9,7,19,26,21,2,10,13,5,17,24,16,8,20,18,25,6/E:(1,2)(3,4)(7,8)(9,10)/rA:28nCCCCCSCNCCCCCCCFCOCNCCCCOCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21;s20;d24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29FN2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.7622
Area:611.419
Solvation:-4.52332
Coulombic:-37.4441
Bond Count [?]
All:29
Single:22
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:404.542
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.09
LogP (Chemaxon):3.68

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Descriptor Annotations

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