Chemical ID: 5921035

Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CCCOC)C(=O)C
Chemical ID:
5921035
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)acetamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CCCOC)C(=O)C
InChi [?]:
InChI=1/C21H27FN2O3S/c1-16-5-10-20(28-16)14-24(13-18-6-8-19(22)9-7-18)21(26)15-23(17(2)25)11-4-12-27-3/h5-10H,4,11-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,25,22,3,11,15,12,14,4,21,23,9,7,19,2,26,10,13,5,17,16,20,8,27,18,24,6/E:(6,7)(8,9)/rA:28nCCCCCSCNCCCCCCCFCOCNCCCOCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s20;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27FN2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.94265
Area:644.904
Solvation:-6.17994
Coulombic:-43.905
Bond Count [?]
All:29
Single:22
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:406.515
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.83
LogP (Chemaxon):1.62

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Descriptor Annotations

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