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Chemical ID: 5920963
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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