Chemical ID: 5920963

Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(C3CC3)C(=O)CC(C)(C)C
Chemical ID:
5920963
Name [?]:
N-cyclopropyl-N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-3,3-dimethyl-butanamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(C3CC3)C(=O)CC(C)(C)C
InChi [?]:
InChI=1/C24H31FN2O2S/c1-17-5-12-21(30-17)15-26(14-18-6-8-19(25)9-7-18)23(29)16-27(20-10-11-20)22(28)13-24(2,3)4/h5-9,12,20H,10-11,13-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,30,3,11,15,12,14,22,23,4,26,9,7,19,2,10,13,21,5,24,17,27,16,8,20,25,18,6/E:(2,3,4)(6,7)(8,9)(10,11)/rA:30nCCCCCSCNCCCCCCCFCOCNCCCCOCCCCC/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;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31FN2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.0282
Area:655.274
Solvation:-4.35364
Coulombic:-37.9737
Bond Count [?]
All:32
Single:25
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:430.58
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.14
LogP (Chemaxon):3.92

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