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Chemical ID: 6473297

CC(C)c1c(c(c(n1CCC(CC(=O)OC)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4

Chemical ID:

6473297

Name [?]:

methyl 5-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3-hydroxy-pentanoate

SMILES [?]:

CC(C)c1c(c(c(n1CCC(CC(=O)OC)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4

InChi [?]:

InChI=1/C32H33FN2O4/c1-21(2)30-29(32(38)34-25-12-8-5-9-13-25)28(22-10-6-4-7-11-22)31(23-14-16-24(33)17-15-23)35(30)19-18-26(36)20-27(37)39-3/h4-17,21,26,36H,18-20H2,1-3H3,(H,34,38)

InChi Info:

AuxInfo=1/1/N:1,3,16,28,37,27,29,36,38,26,30,35,39,19,23,20,22,10,9,12,2,25,18,21,34,11,13,6,5,4,7,31,24,33,8,17,14,32,15/E:(1,2)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:39cCCCCCCCNCCCCCOOCOCCCCCCFCCCCCCCONCCCCCC/rB:s1;s2;s2;d4;s5;d6;s4s7;s8;s9;s10;s11;s12;d13;s13;s15;s11;s7;s18;d19;s20;d21;d18s22;s21;s6;s25;d26;s27;d28;d25s29;s5;d31;s31;s33;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₃FN₂O₄
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	1

ZAP Information [?]

Total:	13.3055
Area:	775.125
Solvation:	-6.0726
Coulombic:	-68.4482

Bond Count [?]

All:	42
Single:	29
Double:	13
Rotors:	12
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	528.614
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	6.31
LogP (Chemaxon):	5.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value